The creation and propagation of longitudinal acoustic phonons (LAPs) in high quality hematite thin films (α-Fe203) epitaxially grown on different substrates (BaTiO3, SrTiO3, and LaAlO3) are investigated using t...The creation and propagation of longitudinal acoustic phonons (LAPs) in high quality hematite thin films (α-Fe203) epitaxially grown on different substrates (BaTiO3, SrTiO3, and LaAlO3) are investigated using the femtosecond pump- probe technique. Transient reflection measurements (AR/R) indicate the photo-excited electron dynamics, and the initial decay less than 1 ps and the slow decay of -500 ps are attributed to the electron-LO phonon coupling and electron-hole nonradiative recombination, respectively. LAPs in α-Fe2O3 film can be created by ultrafast excitation of the ligand field state, such as the ligand field transitions under 800-nm excitation as well as the ligand to metal charge-transfer with 400- nm excitation. The strain modulations of the sound velocity and the out-of-plane elastic properties are demonstrated in α-Fe2O3 film on different substrates.展开更多
The photoelectron imagings of LaO-, CeO-, PRO-, and NdO- at 1064 nm are reported. The well resolved photoelectron spectra allow the electron affinities to be determined as 0.99(1) eV for LaO, 1.00(1) eV for CeO, 1...The photoelectron imagings of LaO-, CeO-, PRO-, and NdO- at 1064 nm are reported. The well resolved photoelectron spectra allow the electron affinities to be determined as 0.99(1) eV for LaO, 1.00(1) eV for CeO, 1.00(1) eV for PrO, and 1.01(1) eV for NdO, respectively. Density functional calculations and natural atomic orbital analyses show that the 4f electrons tend to be localized and suffer little from the charge states of the molecules. The photodetached electron mainly originates from the 6s orbital of the metals. The ligand field theory with the δ=2 assumption is still an effective method to analyze the ground states of the neutral and anionic lanthanide monoxides.展开更多
In this work, the magnetocrystalline anisotropy energy(MAE) on the surface of FeCoalloy film is extracted from x-ray magnetic linear dichroism(XMLD) experiments. The result indicates that the surface MAE value is nega...In this work, the magnetocrystalline anisotropy energy(MAE) on the surface of FeCoalloy film is extracted from x-ray magnetic linear dichroism(XMLD) experiments. The result indicates that the surface MAE value is negatively correlated with thickness. Through spectrum calculations and analysis, we find that besides the thickness effect, another principal possible cause may be the shape anisotropy resulting from the presence of interface roughness. These two factors lead to different electron structures on the fermi surface with different exchange fields, which produces different spin–orbit interaction anisotropies.展开更多
The electro optical characteristics of SrS∶Ce and SrGa 2S 4∶Ce as two kinds of hopeful blue TFEL phosphors have been intensively investigated. The color purity of SrGa 2S 4∶Ce is better than that of SrS∶Ce. ...The electro optical characteristics of SrS∶Ce and SrGa 2S 4∶Ce as two kinds of hopeful blue TFEL phosphors have been intensively investigated. The color purity of SrGa 2S 4∶Ce is better than that of SrS∶Ce. In this paper, the influence of Ga 3+ on photoluminescence (PL) characteristics of Ce 3+ is first reported. Ga 2S 3 was doped into SrS, then sintered. The emission spectra shift obviously towards short wavelength range with increase of Ga 3+ concentration. At the same time, the relative intensity of the excitation peaks corresponding to the interband absorption of SrS reduces, and the excitation efficiency corresponding to the transition from the ground state to the excited state of Ce 3+ ion increases. The ligand field around Ce 3+ is changed by doped Ga 3+ . The ionicity of the substituted become stronger and Ce 3+ -Ce 3+ interaction become weaker. These are favorite to blue emission.展开更多
Based on density functional theory,first-principles calculation is applied to study the electronic properties of undoped and Ag-doped Zn O-Σ7(123^-0)twin grain boundaries(GBs).The calculated result indicates that the...Based on density functional theory,first-principles calculation is applied to study the electronic properties of undoped and Ag-doped Zn O-Σ7(123^-0)twin grain boundaries(GBs).The calculated result indicates that the twin GBs can facilitate the formation and aggregation of Ag substitution at Zn sites(AgZn)due to the strain release.Meanwhile,some twin GBs can also lower the ionization energy of AgZn.The density of state shows that the O–O bonds in GBs play a key role in the formation of a shallow acceptor energy level.When AgZnbonds with one O atom in the O–O bond,the antibonding state of the O–O bond becomes partially occupied.As a result,a weak spin splitting occurs in the antibonding state,which causes a shallow empty energy level above the valence band maximum.Further,the model can be applied to explain the origin of p-type conductivity in Ag-doped Zn O.展开更多
The spin-polarized generalized gradient approximation(GGA)+U approach was employed to study the bonding characteristics and magnetic coupling interactions in room-temperature phase α'-NaV2O5. The calculated resui...The spin-polarized generalized gradient approximation(GGA)+U approach was employed to study the bonding characteristics and magnetic coupling interactions in room-temperature phase α'-NaV2O5. The calculated resuits indicate that the Vdry orbital is split off from other 3d orbitals in the VO5 pyramidal ligand field. The Vdry orbitals are hybridized strongly with the Opx/py orbitals, forming a V--O--V π bond in the ab plane. The ligand field effect together with the intra-atomic exchange splitting results in the insulating behavior. With the aid of Noodleman's bro- ken symmetry methods, the magnetic exchange constant was derived from mapping the relative energies onto the Heisenberg model. The antiferromagnetic(AFM) exchange energy, d, along the chain was calculated to be -593 K in good agreement with the experimental data.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant No.11174195)
文摘The creation and propagation of longitudinal acoustic phonons (LAPs) in high quality hematite thin films (α-Fe203) epitaxially grown on different substrates (BaTiO3, SrTiO3, and LaAlO3) are investigated using the femtosecond pump- probe technique. Transient reflection measurements (AR/R) indicate the photo-excited electron dynamics, and the initial decay less than 1 ps and the slow decay of -500 ps are attributed to the electron-LO phonon coupling and electron-hole nonradiative recombination, respectively. LAPs in α-Fe2O3 film can be created by ultrafast excitation of the ligand field state, such as the ligand field transitions under 800-nm excitation as well as the ligand to metal charge-transfer with 400- nm excitation. The strain modulations of the sound velocity and the out-of-plane elastic properties are demonstrated in α-Fe2O3 film on different substrates.
基金This work was supported by the National Natural Science Foundation of China (No.20933003) and the National Basic Research Program of China (No.2010CB732306).
文摘The photoelectron imagings of LaO-, CeO-, PRO-, and NdO- at 1064 nm are reported. The well resolved photoelectron spectra allow the electron affinities to be determined as 0.99(1) eV for LaO, 1.00(1) eV for CeO, 1.00(1) eV for PrO, and 1.01(1) eV for NdO, respectively. Density functional calculations and natural atomic orbital analyses show that the 4f electrons tend to be localized and suffer little from the charge states of the molecules. The photodetached electron mainly originates from the 6s orbital of the metals. The ligand field theory with the δ=2 assumption is still an effective method to analyze the ground states of the neutral and anionic lanthanide monoxides.
基金supported by the National Natural Science Foundation of China(Grant Nos.11075176 and 11375131)
文摘In this work, the magnetocrystalline anisotropy energy(MAE) on the surface of FeCoalloy film is extracted from x-ray magnetic linear dichroism(XMLD) experiments. The result indicates that the surface MAE value is negatively correlated with thickness. Through spectrum calculations and analysis, we find that besides the thickness effect, another principal possible cause may be the shape anisotropy resulting from the presence of interface roughness. These two factors lead to different electron structures on the fermi surface with different exchange fields, which produces different spin–orbit interaction anisotropies.
文摘The electro optical characteristics of SrS∶Ce and SrGa 2S 4∶Ce as two kinds of hopeful blue TFEL phosphors have been intensively investigated. The color purity of SrGa 2S 4∶Ce is better than that of SrS∶Ce. In this paper, the influence of Ga 3+ on photoluminescence (PL) characteristics of Ce 3+ is first reported. Ga 2S 3 was doped into SrS, then sintered. The emission spectra shift obviously towards short wavelength range with increase of Ga 3+ concentration. At the same time, the relative intensity of the excitation peaks corresponding to the interband absorption of SrS reduces, and the excitation efficiency corresponding to the transition from the ground state to the excited state of Ce 3+ ion increases. The ligand field around Ce 3+ is changed by doped Ga 3+ . The ionicity of the substituted become stronger and Ce 3+ -Ce 3+ interaction become weaker. These are favorite to blue emission.
基金Project supported by the National Natural Science Foundation of China(Grant No.11364009)Natural Science Foundation of Guangxi Province,China(Grant No.2014GXNSFFA118004)
文摘Based on density functional theory,first-principles calculation is applied to study the electronic properties of undoped and Ag-doped Zn O-Σ7(123^-0)twin grain boundaries(GBs).The calculated result indicates that the twin GBs can facilitate the formation and aggregation of Ag substitution at Zn sites(AgZn)due to the strain release.Meanwhile,some twin GBs can also lower the ionization energy of AgZn.The density of state shows that the O–O bonds in GBs play a key role in the formation of a shallow acceptor energy level.When AgZnbonds with one O atom in the O–O bond,the antibonding state of the O–O bond becomes partially occupied.As a result,a weak spin splitting occurs in the antibonding state,which causes a shallow empty energy level above the valence band maximum.Further,the model can be applied to explain the origin of p-type conductivity in Ag-doped Zn O.
基金Supported by the National Natural Science Foundation of China(No.50672031)the Program for Changjiang Scholar and Innovative Research Team in Universities of China(No.IRT0625)the Scientific and Technologic Research and Development Program of Jilin Province, China(No.20060511).
文摘The spin-polarized generalized gradient approximation(GGA)+U approach was employed to study the bonding characteristics and magnetic coupling interactions in room-temperature phase α'-NaV2O5. The calculated resuits indicate that the Vdry orbital is split off from other 3d orbitals in the VO5 pyramidal ligand field. The Vdry orbitals are hybridized strongly with the Opx/py orbitals, forming a V--O--V π bond in the ab plane. The ligand field effect together with the intra-atomic exchange splitting results in the insulating behavior. With the aid of Noodleman's bro- ken symmetry methods, the magnetic exchange constant was derived from mapping the relative energies onto the Heisenberg model. The antiferromagnetic(AFM) exchange energy, d, along the chain was calculated to be -593 K in good agreement with the experimental data.