The isoscalar giant monopole resonances(ISGMRs)of hypernucleiAA42Ca,AA(122)Sn,andAA(210)Pb are investigated using a fully self-consistent Skyrme-Hartree-Fock plus random phase approximation method.The Skyrme-typ...The isoscalar giant monopole resonances(ISGMRs)of hypernucleiAA42Ca,AA(122)Sn,andAA(210)Pb are investigated using a fully self-consistent Skyrme-Hartree-Fock plus random phase approximation method.The Skyrme-type forces,SGII,No.5 and SAAl,are adopted to describe the nucleon-nucleon,A hyperon-nucleon and A hyperon-A hyperon(AA)interactions,respectively.For a given hyperon fraction,we find that effects of AA interaction on the properties of infinite symmetric nuclear matter and finite hypernuclei are very small.The ISGMR strengths are shifted to the high energy region when two A are added into normal nuclei.The changes are from two parts,one is due to the mean field calculations,and the other is from the residual interaction associated with A hyperons.The constrained energies are increased by about 0.5-0.7MeV,which consequently enhances the effective incompressibility modulus of hypernuclei.展开更多
The electronic structures and effective masses of the N mono-doped and Al N, Ga-N, In-N codoped ZnO system have been calculated by a first-principle method, and comparisons among different doping cases are made. Accor...The electronic structures and effective masses of the N mono-doped and Al N, Ga-N, In-N codoped ZnO system have been calculated by a first-principle method, and comparisons among different doping cases are made. According to the results, the impurity states in the codoping cases are more delocalised compared to the N mono-doping case, which means a better conductive behaviour can be obtained by codoping. Besides, compared to the Al-N and Ga-N codoping cases, the hole effective mass of In-N codoped system is much smaller, indicating the p-type conductivity can be more enhanced by In N codoping展开更多
ZnO thin films co-doped with A1 and Sb with different concentrations and a fixed molar ratio of AlCl3 to SbCl3 at 1:2, are prepared by a sol-gel spin-coating method on glass annealed at 550 ℃ for 2 h in air. The x-r...ZnO thin films co-doped with A1 and Sb with different concentrations and a fixed molar ratio of AlCl3 to SbCl3 at 1:2, are prepared by a sol-gel spin-coating method on glass annealed at 550 ℃ for 2 h in air. The x-ray diffraction results confirm that the ZnO thin films co-doped with Al distortion, and the biaxial stresses are 1.03× 10^8. 3.26× 10^8 and Sb are of wurtzite hexagonal ZnO with a very small 5.23 × 10^8, and 6.97× 10^8 Pa, corresponding to those of the ZnO thin films co-doped with Al and Sb in concentrations of 1.5, 3.0, 4.5, 6.0 at% respectively. The optical properties reveal that the ZnO thin films co-doped with Al and Sb have obviously enhanced transmittance in the visible region. The electrical properties show that ZnO thin film co-doped with Al and Sb in a concentration of 1.5 at% has a lowest resistivity of 2.5 Ω·cm.展开更多
Molecular dynamics simulations are used to investigate the stabilities of C15 Laves phase structures subjected to temperature and point defects. The simulations based on different empirical potentials show that the bu...Molecular dynamics simulations are used to investigate the stabilities of C15 Laves phase structures subjected to temperature and point defects. The simulations based on different empirical potentials show that the bulk perfect C15 Laves phase appears to be stable under a critical temperature in a range from 350 K to 450 K, beyond which it becomes disordered and experiences an abrupt decrement of elastic modulus. In the presence of both vacancy and self-interstitial, the bulk C15 Laves phase becomes unstable at room temperature and prefers to transform into an imperfect body centered cubic(BCC)structure containing free vacancies or vacancy clusters. When a C15 cluster is embedded in BCC iron, the annihilation of interstitials occurs due to the presence of the vacancy, while it exhibits a phase transformation into a(1/2) 111 dislocation loop due to the presence of the self-interstitial.展开更多
The aim of this study was to determine the attenuation of gamma and X-rays with different energies caused by passage through different materials.To this end,different materials with a range of atomic numbers were chos...The aim of this study was to determine the attenuation of gamma and X-rays with different energies caused by passage through different materials.To this end,different materials with a range of atomic numbers were chosen to measure gamma and X-ray attenuation coefficients and to explore the mechanisms of interaction of gamma and X-rays with matter of various kinds.It is shown that the attenuation coefficients first decrease and then increase with increase in the radiation(photon)energy.The attenuation of gamma and X-rays passing through materials with high atomic number is greater than that in materials with low atomic number.The attenuation minimum is related to the atomic number of the irradiated materials.The larger the atomic number is,the lower the energy corresponding to attenuation minimum is.Photoelectric and Compton effects are the main processes when gamma rays pass through individual materials with high and low atomic numbers,respectively.Therefore,for radiotherapy and radiation protection,different methods should be considered and selected for the use of gamma and X-rays of different energies for use in different materials.展开更多
Using a first-principle method, the electronic structures and the impurity formation energy of ZnO, ZnO(N), ZnO (N+B), and ZnO (2N+B) have been calculated, based on which the feasibility to obtain p-type ZnO isdiscuss...Using a first-principle method, the electronic structures and the impurity formation energy of ZnO, ZnO(N), ZnO (N+B), and ZnO (2N+B) have been calculated, based on which the feasibility to obtain p-type ZnO isdiscussed.According to the results, when ZnO is single doped by N, the acceptor level is deep, and the formation energyis negative, so the ideal p-type ZnO can not be obtained by this way.On the contrary, when 2N+B are codoped intoZnO, the acceptor level becomes much lower, and the formation energy is positive, so it is a better way to obtain p-typeZnO.展开更多
The experimental data of 100 A MeV12C +12C elastic scattering are checked by using two-body kinematic calculation and12 C + p elastic scattering. It is shown that the measured data are true and reliable. In the paper,...The experimental data of 100 A MeV12C +12C elastic scattering are checked by using two-body kinematic calculation and12 C + p elastic scattering. It is shown that the measured data are true and reliable. In the paper,the transformation between the excited energy spectra of the12 C +12C system and the ground state energy spectra of the12 C + p system is introduced. The method of subtraction of the hydrogen background in the natural carbon target used in the experiment is elaborately described and the results are discussed. It is indicated that this method of subtraction of hydrogen background is reasonable and can be used in the data analysis. Based on the elastic scattering cross section of the previous experiment of12C+p at 95.3A MeV, the hydrogen content entered into the reaction is analyzed. The final hydrogen content in the natural carbon target is(2.73 ± 0.12)%.展开更多
AlN powders are prepared by direct nitridation via Al liquid and vapor phases in mixed atmospheres of N2 and NH3 with different NH3/N2 ratios. The reaction analysis reveals that NH3 acts as catalyst for N2 dissociatio...AlN powders are prepared by direct nitridation via Al liquid and vapor phases in mixed atmospheres of N2 and NH3 with different NH3/N2 ratios. The reaction analysis reveals that NH3 acts as catalyst for N2 dissociation and the transportations of N, O, and Al in the liquid phase are different from those in the vapor phase. Accordingly, the products are Al-rich and composition-tunable nonstoichiometric AlN in which N, O, and Al content values change with nitridation atmosphere and temperature, leading to the variation of the relevant defect concentration. Therefore, the AlN powders exhibit prominent absorption bands around 5.30, 3.40, and 1.50 eV, which are tentatively assigned to VN, ON donors, and AlN acceptor respectively. Furthermore, a new donor named [VN-ON] complex is predicted at 4.40 eV within the 5.90 eV bandgap. It is demonstrated that the optical spectra of nonstoichiometric AlN are preferable to the nominal stoichimometric one for the identification of the defects energy level.展开更多
The dependence of perpendicular magnetic anisotropy (PMA) on the barrier layer MgO thickness in MgO/CoFeB /Ta multilayers is investigated. The results show that the strongest PMA occurs in a small window of about 2 ...The dependence of perpendicular magnetic anisotropy (PMA) on the barrier layer MgO thickness in MgO/CoFeB /Ta multilayers is investigated. The results show that the strongest PMA occurs in a small window of about 2 4nm with the increase of MgO thickness from 1-1Onto. The crystalline degree of MgO and the change of interatomic distance along the out-of-plane direction may be the main reasons for the change of PMA in these multilayers. Moreover, the roughnesses of 2- and 4-nm-thick MgO samples are 3.163 and 1.8 nm, respectively, and both the samples show PMA. These results could be used to tune the magnetic characteristic of the ultra thin CoFeB film for future applications in perpendicular magnetic devices.展开更多
This paper calculates the structural parameters, electronic and optical properties of orthorhombic distorted perovskite-type TbMnO3 by first principles using density functional theory within the generalised gradient a...This paper calculates the structural parameters, electronic and optical properties of orthorhombic distorted perovskite-type TbMnO3 by first principles using density functional theory within the generalised gradient approximation. The calculated equilibrium lattice constants are in a reasonable agreement with theoretical and experimental data. The energy band structure, density of states and partial density of states of elements are obtained. Band structures show that TbMnO3 is an indirect band gap between the O 2p states and Mn 3d states, and the band gap is of 0.48 eV agreeing with experimental result. Furthermore, the optical properties, including the dielectric function, absorption coefficient, optical reflectivity, refractive index and energy loss spectrum are calculated and analysed, showing that the TbMnO3 is a promising dielectric material.展开更多
Brannerite MnV2O6 with plate-like shape is successfully synthesized by hydrothermal method. Its crystal structure and morphology are investigated by x-ray diffraction (XRD), scanning electron microscopy (SEM), tra...Brannerite MnV2O6 with plate-like shape is successfully synthesized by hydrothermal method. Its crystal structure and morphology are investigated by x-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscope (TEM), high resolution transmission electron microscopy (HRTEM) and select area electronic diffraction (SAED). The results show that the brannerite MnV2O6 with monoclinic structure has a uniform plate-like shape with a diameter of about 5-8μm and a thickness of about 500 nm. SAED patterns further confirm the structure of the brannerite MnV2O6 and the single crystalline character of the plate crystal. Magnetic properties are measured by superconducting quantum interference device (SQUID) in a temperature range of 2-300 K under a magnetic field of 1 T. The magnetic measurement results indicate that the material undergoes an antiferromagnetic transition with a Neel temperature of 17 K. Above 50 K, the inverse susceptibility is fitted well to the Curie-Weiss law with a calculated moment of 5.98μB. Finally, the origin of antiferromagnetic behaviour in the brannerite MnV2O6 is explained by means of Anderson model.展开更多
β-Mn2V2O7 crystals with strip shape are successfully prepared by the molten salt method in a closed crucible, and are characterized by x-ray diffraction (XRD), scanning electron microscopy (SEM), transmission ele...β-Mn2V2O7 crystals with strip shape are successfully prepared by the molten salt method in a closed crucible, and are characterized by x-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), selected area of electron diffraction (SAED) and high-resolution transmission electron microscopy (HRTEM). The results indicate that the sample is of the β-Mn2V2O7 crystal with monoclinic symmetry, level natural cleavage facets and directional growth. Magnetic properties are measured by vibration sample magnetometry (VSM) at room temperature, and the magnetic hysteresis loop indicates that the β-Mn2V2O7 has anti-ferromagnetic properties with low coercive force and remnant magnetization. The magnetic measurement results in different directions exhibit that the β-Mn2V2O7 has magnetic anisotropy, which is due to the fact that the magnetic interaction energy of the β-Mn2V2O7 is lowest only when the electron configuration is in a certain direction.展开更多
Since rate effect of materials plays a key role in impact engineering, the microscopic mechanism of rate effect is investigated at molecular level in this paper. The results show that rate effect on the strength of at...Since rate effect of materials plays a key role in impact engineering, the microscopic mechanism of rate effect is investigated at molecular level in this paper. The results show that rate effect on the strength of atomic system is closely related to the coupled evolution of atomic motions and potential landscapes. Accordingly, it becomes possible to develop a new algorithm of molecular simulation, which could properly and efficiently demonstrate strain rate effect under a wide range of loading rates and unveil the mecha- nisms underlying the strain rate effects.展开更多
This paper presents a modified rate-independent Prandtl-Ishlinskii (MRIPI) model based on the Fermi-Dirac distri- bution for the asymmetric hysteresis description of magnetostrictive actuators. Generally, the classi...This paper presents a modified rate-independent Prandtl-Ishlinskii (MRIPI) model based on the Fermi-Dirac distri- bution for the asymmetric hysteresis description of magnetostrictive actuators. Generally, the classical Prandtl-Ishlinskii (CPI) model can hardly describe the asymmetric hysteresis. To overcome this limitation, various complex operators have been developed to replace the classical operator. In this study, the proposed MRIPI model maintains the classical operator while a modified input function based on the Fermi-Dirac distribution is presented to replace the classical input function. With this method, the MRIPI model can describe the asymmetric hysteresis of magnetostrictive actuators in a relatively simple mathematic format and has fewer parameters to be identified. A velocity-based sine cosine algorithm (VSCA) is also proposed for the parameter identification of the MRIPI model. To verify the validity of the MRIPI model, experiments are performed and the results are compared with those of the existing modeling methods.展开更多
The electronic structures and optical properties of Tb_(1−x)Yb_(x)MnO_(3) as a function of Yb element content x are investigated by employing the first-principles method. The calculation results indicate that the elec...The electronic structures and optical properties of Tb_(1−x)Yb_(x)MnO_(3) as a function of Yb element content x are investigated by employing the first-principles method. The calculation results indicate that the electronic states associated with the Yb element are dominated gradually and the inner electronic states move to the lower energy level with the increasing x. The dielectric function and other optical properties of Tb_(1−x)Yb_(x)MnO_(3) such as the reflectance spectra are obtained and the results indicate that the static dielectric function reaches a maximum at about x=0.75, while the fitting expression predicts a maximum when x=0.69. In addition, it is found that one peak appearing at about 3.60 eV in the reflectance spectra of TbMnO_(3) is driven to shift linearly towards higher energy level with the increasing x. However, another peak at about 29.63 eV moves nonlinearly in the same situation.展开更多
TiO2 nano powders with Mn concentration of 0 at%-12 at% were synthesized by the sol-gel process, and were annealed at 500 ℃ and 800 ℃ in air for 2 hrs. X-ray diffraction (XRD) measurements indicate that the Mn-TiO...TiO2 nano powders with Mn concentration of 0 at%-12 at% were synthesized by the sol-gel process, and were annealed at 500 ℃ and 800 ℃ in air for 2 hrs. X-ray diffraction (XRD) measurements indicate that the Mn-TiO2 nano powders with Mn concentration of 1 at% and 2 at% annealed at 500 and 800 ℃ are of pure anatase and rutile, respectively. The scanning electron microscope (SEM) observations reveal that the crystal grain size increases with the annealing temperature, and the high resolution transmission electron microscopy (HRTEM) investigations further indicate that the samples are well crystallized, confirming that Mn has doped into the TiO2 crystal lattice effectively. The room temperature ferromagnetism, which could be explained within the scope of the bound magnetic polaron (BMP) theory, is detected in the Mn-TiO2 samples with Mn concentration of 2 at%, and the magnetization of the powders annealed at 500 ℃ is stronger than that of the sample treated at 800 ℃. The UV-VIS diffuse reflectance spectra results demonstrate that the absorption of the TiO2 powders could be enlarged by the enhanced trapped electron absorption caused by Mn doping.展开更多
The TiO2-Mn-TiO2multilayers are successfully grown on glass and silicon substrates by alternately using radio frequency reactive magnetron sputtering and direct current magnetron sputtering. The structures and the mag...The TiO2-Mn-TiO2multilayers are successfully grown on glass and silicon substrates by alternately using radio frequency reactive magnetron sputtering and direct current magnetron sputtering. The structures and the magnetic behaviours of these films are characterised with x-ray diffraction, transmission electron microscope (TEM), vibrating sample magnetometer, and superconducting quantum interference device (SQUID). It is shown that the multi-film consists of a mixture of anatase and rutile TiO2 with an embedded Mn nano-film. It is found that there are two turning points from ferromagnetic phase to antiferromagnetic phase. One is at 42 K attributed to interface coupling between ferromagnetic Mn3O4 and antiferromagnetic Mn2O3, and the other is at 97 K owing to the interface coupling between ferromagnetic Mn and antiferromagnetic MnO. The samples are shown to have ferromagnetic behaviours at room temperature from hysteresis in the M-H loops, and their ferromagnetism is found to vary with the thickness of Mn nano-film. Moreover, the Mn nano-film has a critical thickness of about 18.5 nm, which makes the coercivity of the multi-film reach a maximum of about 3.965 × 10^-2 T.展开更多
A new mixing method was developed for solid-state reaction synthesis of SrAl2O4:Eu2+,Dy3+ long afterglow phosphors.The morphology and crystal structure of the phosphors were analyzed with scanning electron microscope(...A new mixing method was developed for solid-state reaction synthesis of SrAl2O4:Eu2+,Dy3+ long afterglow phosphors.The morphology and crystal structure of the phosphors were analyzed with scanning electron microscope(SEM) and X-ray diffractometer(XRD).The excitation and emission spectra of the long afterglow phosphors were measured,and the main emission band was around 514 nm.The decay time of the product was measured and compared with the phosphors prepared using dry-mixing method and wet-mixing method.It ...展开更多
A detector setup for the measurement of angular distribution of heavy-ion elastic scattering at energies around Coulomb barrier on the radioactive ion beam line in Lanzhou at the heavy-ion research facility in Lanzhou...A detector setup for the measurement of angular distribution of heavy-ion elastic scattering at energies around Coulomb barrier on the radioactive ion beam line in Lanzhou at the heavy-ion research facility in Lanzhou is designed.The beam profile and the scattering angles on the target are deduced by two parallel plate avalanche counters,and four sets of detector telescopes(including doublesided silicon strip detectors) are placed systematically with the beam line,incorporating with Monte Carlo simulations.The data of ^(16)O on ^(89)Y target were analyzed to compare with the simulation results.It is found that the simulated distribution is agreeable with the experimental data.By assuming the pure Rutherford scattering at small scattering angles,the angular distribution of elastic scattering of^(16)O+^(89)Y at low energies can be reasonably obtained.It indicates that this set of detector setup can be used for the measurement of angular distributions of heavy-ion elastic scattering at energies around Coulomb barrier.展开更多
基金Supported by the National Natural Science Foundation of China under Grant Nos 11575060,11775014,11505058 and 11435014
文摘The isoscalar giant monopole resonances(ISGMRs)of hypernucleiAA42Ca,AA(122)Sn,andAA(210)Pb are investigated using a fully self-consistent Skyrme-Hartree-Fock plus random phase approximation method.The Skyrme-type forces,SGII,No.5 and SAAl,are adopted to describe the nucleon-nucleon,A hyperon-nucleon and A hyperon-A hyperon(AA)interactions,respectively.For a given hyperon fraction,we find that effects of AA interaction on the properties of infinite symmetric nuclear matter and finite hypernuclei are very small.The ISGMR strengths are shifted to the high energy region when two A are added into normal nuclei.The changes are from two parts,one is due to the mean field calculations,and the other is from the residual interaction associated with A hyperons.The constrained energies are increased by about 0.5-0.7MeV,which consequently enhances the effective incompressibility modulus of hypernuclei.
基金financially supported by the National Natural Science Foundation of China (No. 50902006)the National High Technology Development 863 Program of China (No. 2009AA03Z428)National Student Innovative Experiment Plan
基金Project supported by the Special Foundation for Young Scientists of Anhui Province,China (Grant No. 2009SQRZ097ZD)the Foundation of Anhui University of Architecture (Grant No. 20070601)
文摘The electronic structures and effective masses of the N mono-doped and Al N, Ga-N, In-N codoped ZnO system have been calculated by a first-principle method, and comparisons among different doping cases are made. According to the results, the impurity states in the codoping cases are more delocalised compared to the N mono-doping case, which means a better conductive behaviour can be obtained by codoping. Besides, compared to the Al-N and Ga-N codoping cases, the hole effective mass of In-N codoped system is much smaller, indicating the p-type conductivity can be more enhanced by In N codoping
基金Project supported by the Innovation Foundation of Beijing University of Aeronautics and Astronautics for PhD Graduates, China (Grant No. 292122)the Equipment Research Foundation of China (Grant No. 373974)
文摘ZnO thin films co-doped with A1 and Sb with different concentrations and a fixed molar ratio of AlCl3 to SbCl3 at 1:2, are prepared by a sol-gel spin-coating method on glass annealed at 550 ℃ for 2 h in air. The x-ray diffraction results confirm that the ZnO thin films co-doped with Al distortion, and the biaxial stresses are 1.03× 10^8. 3.26× 10^8 and Sb are of wurtzite hexagonal ZnO with a very small 5.23 × 10^8, and 6.97× 10^8 Pa, corresponding to those of the ZnO thin films co-doped with Al and Sb in concentrations of 1.5, 3.0, 4.5, 6.0 at% respectively. The optical properties reveal that the ZnO thin films co-doped with Al and Sb have obviously enhanced transmittance in the visible region. The electrical properties show that ZnO thin film co-doped with Al and Sb in a concentration of 1.5 at% has a lowest resistivity of 2.5 Ω·cm.
基金supported by the National Natural Science Foundation of China(Grant Nos.11675230 and 11375242)Canada’s Natural Sciences and Engineering Research Council NSERC Discovery GrantCanada Foundation for Innovation CFI
文摘Molecular dynamics simulations are used to investigate the stabilities of C15 Laves phase structures subjected to temperature and point defects. The simulations based on different empirical potentials show that the bulk perfect C15 Laves phase appears to be stable under a critical temperature in a range from 350 K to 450 K, beyond which it becomes disordered and experiences an abrupt decrement of elastic modulus. In the presence of both vacancy and self-interstitial, the bulk C15 Laves phase becomes unstable at room temperature and prefers to transform into an imperfect body centered cubic(BCC)structure containing free vacancies or vacancy clusters. When a C15 cluster is embedded in BCC iron, the annihilation of interstitials occurs due to the presence of the vacancy, while it exhibits a phase transformation into a(1/2) 111 dislocation loop due to the presence of the self-interstitial.
基金supported by the National Natural Science Foundation of China(Nos.11475013,11975040 and U1832130)
文摘The aim of this study was to determine the attenuation of gamma and X-rays with different energies caused by passage through different materials.To this end,different materials with a range of atomic numbers were chosen to measure gamma and X-ray attenuation coefficients and to explore the mechanisms of interaction of gamma and X-rays with matter of various kinds.It is shown that the attenuation coefficients first decrease and then increase with increase in the radiation(photon)energy.The attenuation of gamma and X-rays passing through materials with high atomic number is greater than that in materials with low atomic number.The attenuation minimum is related to the atomic number of the irradiated materials.The larger the atomic number is,the lower the energy corresponding to attenuation minimum is.Photoelectric and Compton effects are the main processes when gamma rays pass through individual materials with high and low atomic numbers,respectively.Therefore,for radiotherapy and radiation protection,different methods should be considered and selected for the use of gamma and X-rays of different energies for use in different materials.
基金Supported by the Foundation for the Excellent Youth Scholars of Anhui Education Office under Grant No.2009SQRZ097ZDthe Foundation of Anhui Province Education Bureau under Grant No.KJ2008B262 the Foundation of Anhui University of Architecture under Grant No.20070601
文摘Using a first-principle method, the electronic structures and the impurity formation energy of ZnO, ZnO(N), ZnO (N+B), and ZnO (2N+B) have been calculated, based on which the feasibility to obtain p-type ZnO isdiscussed.According to the results, when ZnO is single doped by N, the acceptor level is deep, and the formation energyis negative, so the ideal p-type ZnO can not be obtained by this way.On the contrary, when 2N+B are codoped intoZnO, the acceptor level becomes much lower, and the formation energy is positive, so it is a better way to obtain p-typeZnO.
基金Supported by the Innovation Foundation of BUAA for PhD Graduates and National Natural Science Foundation of China(Nos.11035007,11235002 and 11175011)
文摘The experimental data of 100 A MeV12C +12C elastic scattering are checked by using two-body kinematic calculation and12 C + p elastic scattering. It is shown that the measured data are true and reliable. In the paper,the transformation between the excited energy spectra of the12 C +12C system and the ground state energy spectra of the12 C + p system is introduced. The method of subtraction of the hydrogen background in the natural carbon target used in the experiment is elaborately described and the results are discussed. It is indicated that this method of subtraction of hydrogen background is reasonable and can be used in the data analysis. Based on the elastic scattering cross section of the previous experiment of12C+p at 95.3A MeV, the hydrogen content entered into the reaction is analyzed. The final hydrogen content in the natural carbon target is(2.73 ± 0.12)%.
文摘AlN powders are prepared by direct nitridation via Al liquid and vapor phases in mixed atmospheres of N2 and NH3 with different NH3/N2 ratios. The reaction analysis reveals that NH3 acts as catalyst for N2 dissociation and the transportations of N, O, and Al in the liquid phase are different from those in the vapor phase. Accordingly, the products are Al-rich and composition-tunable nonstoichiometric AlN in which N, O, and Al content values change with nitridation atmosphere and temperature, leading to the variation of the relevant defect concentration. Therefore, the AlN powders exhibit prominent absorption bands around 5.30, 3.40, and 1.50 eV, which are tentatively assigned to VN, ON donors, and AlN acceptor respectively. Furthermore, a new donor named [VN-ON] complex is predicted at 4.40 eV within the 5.90 eV bandgap. It is demonstrated that the optical spectra of nonstoichiometric AlN are preferable to the nominal stoichimometric one for the identification of the defects energy level.
基金Supported by the National Basic Research Program of China under Grant No 2011CB921804the Beijing Key Subject Foundation of Condensed Matter Physics under Grant No 0114023
文摘The dependence of perpendicular magnetic anisotropy (PMA) on the barrier layer MgO thickness in MgO/CoFeB /Ta multilayers is investigated. The results show that the strongest PMA occurs in a small window of about 2 4nm with the increase of MgO thickness from 1-1Onto. The crystalline degree of MgO and the change of interatomic distance along the out-of-plane direction may be the main reasons for the change of PMA in these multilayers. Moreover, the roughnesses of 2- and 4-nm-thick MgO samples are 3.163 and 1.8 nm, respectively, and both the samples show PMA. These results could be used to tune the magnetic characteristic of the ultra thin CoFeB film for future applications in perpendicular magnetic devices.
基金supported by the Financial Support from Equipment Research Foundation of China (Grant No.373974)
文摘This paper calculates the structural parameters, electronic and optical properties of orthorhombic distorted perovskite-type TbMnO3 by first principles using density functional theory within the generalised gradient approximation. The calculated equilibrium lattice constants are in a reasonable agreement with theoretical and experimental data. The energy band structure, density of states and partial density of states of elements are obtained. Band structures show that TbMnO3 is an indirect band gap between the O 2p states and Mn 3d states, and the band gap is of 0.48 eV agreeing with experimental result. Furthermore, the optical properties, including the dielectric function, absorption coefficient, optical reflectivity, refractive index and energy loss spectrum are calculated and analysed, showing that the TbMnO3 is a promising dielectric material.
文摘Brannerite MnV2O6 with plate-like shape is successfully synthesized by hydrothermal method. Its crystal structure and morphology are investigated by x-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscope (TEM), high resolution transmission electron microscopy (HRTEM) and select area electronic diffraction (SAED). The results show that the brannerite MnV2O6 with monoclinic structure has a uniform plate-like shape with a diameter of about 5-8μm and a thickness of about 500 nm. SAED patterns further confirm the structure of the brannerite MnV2O6 and the single crystalline character of the plate crystal. Magnetic properties are measured by superconducting quantum interference device (SQUID) in a temperature range of 2-300 K under a magnetic field of 1 T. The magnetic measurement results indicate that the material undergoes an antiferromagnetic transition with a Neel temperature of 17 K. Above 50 K, the inverse susceptibility is fitted well to the Curie-Weiss law with a calculated moment of 5.98μB. Finally, the origin of antiferromagnetic behaviour in the brannerite MnV2O6 is explained by means of Anderson model.
文摘β-Mn2V2O7 crystals with strip shape are successfully prepared by the molten salt method in a closed crucible, and are characterized by x-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), selected area of electron diffraction (SAED) and high-resolution transmission electron microscopy (HRTEM). The results indicate that the sample is of the β-Mn2V2O7 crystal with monoclinic symmetry, level natural cleavage facets and directional growth. Magnetic properties are measured by vibration sample magnetometry (VSM) at room temperature, and the magnetic hysteresis loop indicates that the β-Mn2V2O7 has anti-ferromagnetic properties with low coercive force and remnant magnetization. The magnetic measurement results in different directions exhibit that the β-Mn2V2O7 has magnetic anisotropy, which is due to the fact that the magnetic interaction energy of the β-Mn2V2O7 is lowest only when the electron configuration is in a certain direction.
基金supported by the National Basic Research Program of China (973 Program)(2012CB937500)the National Natural Science Foundation of China (11202212,10932011,11021262,11172024,11172305,and 11232013)
文摘Since rate effect of materials plays a key role in impact engineering, the microscopic mechanism of rate effect is investigated at molecular level in this paper. The results show that rate effect on the strength of atomic system is closely related to the coupled evolution of atomic motions and potential landscapes. Accordingly, it becomes possible to develop a new algorithm of molecular simulation, which could properly and efficiently demonstrate strain rate effect under a wide range of loading rates and unveil the mecha- nisms underlying the strain rate effects.
文摘This paper presents a modified rate-independent Prandtl-Ishlinskii (MRIPI) model based on the Fermi-Dirac distri- bution for the asymmetric hysteresis description of magnetostrictive actuators. Generally, the classical Prandtl-Ishlinskii (CPI) model can hardly describe the asymmetric hysteresis. To overcome this limitation, various complex operators have been developed to replace the classical operator. In this study, the proposed MRIPI model maintains the classical operator while a modified input function based on the Fermi-Dirac distribution is presented to replace the classical input function. With this method, the MRIPI model can describe the asymmetric hysteresis of magnetostrictive actuators in a relatively simple mathematic format and has fewer parameters to be identified. A velocity-based sine cosine algorithm (VSCA) is also proposed for the parameter identification of the MRIPI model. To verify the validity of the MRIPI model, experiments are performed and the results are compared with those of the existing modeling methods.
文摘The electronic structures and optical properties of Tb_(1−x)Yb_(x)MnO_(3) as a function of Yb element content x are investigated by employing the first-principles method. The calculation results indicate that the electronic states associated with the Yb element are dominated gradually and the inner electronic states move to the lower energy level with the increasing x. The dielectric function and other optical properties of Tb_(1−x)Yb_(x)MnO_(3) such as the reflectance spectra are obtained and the results indicate that the static dielectric function reaches a maximum at about x=0.75, while the fitting expression predicts a maximum when x=0.69. In addition, it is found that one peak appearing at about 3.60 eV in the reflectance spectra of TbMnO_(3) is driven to shift linearly towards higher energy level with the increasing x. However, another peak at about 29.63 eV moves nonlinearly in the same situation.
基金Project supported by the Innovation Foundation of BUAA for PhD Graduates (Grant No. 292122)Equipment Research Foundation of China
文摘TiO2 nano powders with Mn concentration of 0 at%-12 at% were synthesized by the sol-gel process, and were annealed at 500 ℃ and 800 ℃ in air for 2 hrs. X-ray diffraction (XRD) measurements indicate that the Mn-TiO2 nano powders with Mn concentration of 1 at% and 2 at% annealed at 500 and 800 ℃ are of pure anatase and rutile, respectively. The scanning electron microscope (SEM) observations reveal that the crystal grain size increases with the annealing temperature, and the high resolution transmission electron microscopy (HRTEM) investigations further indicate that the samples are well crystallized, confirming that Mn has doped into the TiO2 crystal lattice effectively. The room temperature ferromagnetism, which could be explained within the scope of the bound magnetic polaron (BMP) theory, is detected in the Mn-TiO2 samples with Mn concentration of 2 at%, and the magnetization of the powders annealed at 500 ℃ is stronger than that of the sample treated at 800 ℃. The UV-VIS diffuse reflectance spectra results demonstrate that the absorption of the TiO2 powders could be enlarged by the enhanced trapped electron absorption caused by Mn doping.
基金supported by the Innovation Foundation of Beijing University of Aeronautics and Astronautics for PhD Graduates,China(Grant No.292122)the Equipment Research Foundation of China (Grant No.373974)
文摘The TiO2-Mn-TiO2multilayers are successfully grown on glass and silicon substrates by alternately using radio frequency reactive magnetron sputtering and direct current magnetron sputtering. The structures and the magnetic behaviours of these films are characterised with x-ray diffraction, transmission electron microscope (TEM), vibrating sample magnetometer, and superconducting quantum interference device (SQUID). It is shown that the multi-film consists of a mixture of anatase and rutile TiO2 with an embedded Mn nano-film. It is found that there are two turning points from ferromagnetic phase to antiferromagnetic phase. One is at 42 K attributed to interface coupling between ferromagnetic Mn3O4 and antiferromagnetic Mn2O3, and the other is at 97 K owing to the interface coupling between ferromagnetic Mn and antiferromagnetic MnO. The samples are shown to have ferromagnetic behaviours at room temperature from hysteresis in the M-H loops, and their ferromagnetism is found to vary with the thickness of Mn nano-film. Moreover, the Mn nano-film has a critical thickness of about 18.5 nm, which makes the coercivity of the multi-film reach a maximum of about 3.965 × 10^-2 T.
基金supported by the Program for New Century Excellent Talents in the University of China (NCET-06-0179)
文摘A new mixing method was developed for solid-state reaction synthesis of SrAl2O4:Eu2+,Dy3+ long afterglow phosphors.The morphology and crystal structure of the phosphors were analyzed with scanning electron microscope(SEM) and X-ray diffractometer(XRD).The excitation and emission spectra of the long afterglow phosphors were measured,and the main emission band was around 514 nm.The decay time of the product was measured and compared with the phosphors prepared using dry-mixing method and wet-mixing method.It ...
基金Supported by the National Natural Science Foundation of China(Nos.11475013,11175011,11035007)
文摘A detector setup for the measurement of angular distribution of heavy-ion elastic scattering at energies around Coulomb barrier on the radioactive ion beam line in Lanzhou at the heavy-ion research facility in Lanzhou is designed.The beam profile and the scattering angles on the target are deduced by two parallel plate avalanche counters,and four sets of detector telescopes(including doublesided silicon strip detectors) are placed systematically with the beam line,incorporating with Monte Carlo simulations.The data of ^(16)O on ^(89)Y target were analyzed to compare with the simulation results.It is found that the simulated distribution is agreeable with the experimental data.By assuming the pure Rutherford scattering at small scattering angles,the angular distribution of elastic scattering of^(16)O+^(89)Y at low energies can be reasonably obtained.It indicates that this set of detector setup can be used for the measurement of angular distributions of heavy-ion elastic scattering at energies around Coulomb barrier.