Density functional method （B3p86） was used to optimize the structure of the molecule Fe2. The result showed that the ground electronic state for the molecule Fe2 is nonet state instead of septet state, which indicat...Density functional method （B3p86） was used to optimize the structure of the molecule Fe2. The result showed that the ground electronic state for the molecule Fe2 is nonet state instead of septet state, which indicates that there is a spin polarization effect in the molecule Fe2, i.e., in which there are 8 parallel spin electrons.In this case, the number of the unpaired d-orbit electrons is the largest, and these electrons occupy different spatial orbitals so that the energy of the molecule Fe2 is minimized. Meanwhile, the spin pollution was not found because the wave functions of the ground state do not mix with those of the higher energy states. In addition, the Murrell-Sorbie potential functions with the parameters for the ground electronic state and other exited electronic states of the molecule Fe2 were derived. The dissociation energy, equilibrium bond length and the vibration frequency for the ground electronic state of the molecule Fe2 are 3.5522 eV, 0.2137 nm and 292.914 cm^-1, respectively. Its force constants f2, f3 and f4 are 1.4115×1^02 a J/nm^2, -37.1751×103^aJ/nm^3 and 98.7596× 10^4 a J/nm^4, respectively. The other spectroscopic parameters ωexe, Be and αe for the ground electronic state of Fe2 are 0.3522, 0.0345 and 0.4963× 10^-4 cm^-1, respectively.展开更多
The spin-dependent transport properties in the non-collinear pattern of series of δ-magnetic barriers are studied by using scattering theory and Green＇s function methods. The Green＇s function is obtained by using d...The spin-dependent transport properties in the non-collinear pattern of series of δ-magnetic barriers are studied by using scattering theory and Green＇s function methods. The Green＇s function is obtained by using distorted wave approach and the scattering matrix is related by Fisher-Lee relationship. In addition to reproducing the results of Papp＇s and Xu＇s in parallel and antiparallel configurations, we also obtain further results, where arbitrary orientations of the magnetic barriers and arbitrary number of barriers are included. The main finding of our results is that the signs of polarizations can be switched around some ＂geometric unpolarized windows＂. The well-known antiparallel configuration has no such characteristics. Furthermore, we discuss spin-related partial densities of states in both polarized and unpolarized structures.展开更多
We investigate the behavior of the vacuum polarization of the gauge-boson Ⅱ and the wave-function renormalization factor of the fermion A in QEDs, using the coupled Dyson-Schwinger equations for the gauge-boson and f...We investigate the behavior of the vacuum polarization of the gauge-boson Ⅱ and the wave-function renormalization factor of the fermion A in QEDs, using the coupled Dyson-Schwinger equations for the gauge-boson and fermion propagator. Using several different ansatze for the fermion-gauge-boson vertex, we find that the wave-function renormalization factor .4 and especially the vacuum polarization Ⅱ have different behaviors in the dynamical chiral symmetry breaking phase and in the chiral symmetric phase and hence in the phenomenological applications of QED3 one should choose different forms of gauge-boson propagator for these two phases. We also find that when adopting a specific ansatze of the fermion-gauge-boson vertex （ansatze （3）） the vacuum polarization function equals its one-loop perturbative result in the chiral symmetric phase. This fact suggests that in QEDs the Wigner vacuum corresponds to the perturbative vacuum.展开更多
A generalized response function based on the use of dielectric spectra for dielectric relaxation process is derived. We apply the general response function to the special case in order to examine how special dielectri...A generalized response function based on the use of dielectric spectra for dielectric relaxation process is derived. We apply the general response function to the special case in order to examine how special dielectric relaxation functions developed by other authors for solvent relaxation can be derived based on our formulations. Three typical solvents, water, methanol, and acetonitrile are used to investigate the electronic polarization processes of polar solvents. The solvent electronic polarization process is shown after a linear variation with the external electric field imposed on the solvent. The results show a conclusion that the electronic polarization of the solvents will accompany the electronic transition synchronously, without time lag.展开更多
Motivated by the recent advances of transition-metal-nitrogen-carbon (TM-N-C) materials in catalysis, we investigate the electronic structure and transport properties of FeN3-embedded armchair and zigzag graphene nano...Motivated by the recent advances of transition-metal-nitrogen-carbon (TM-N-C) materials in catalysis, we investigate the electronic structure and transport properties of FeN3-embedded armchair and zigzag graphene nanoribbons (FeN3@AGNRs, FeN3@ZGNRs) with different widths. The first-principles results indicate that the FeN3 induces significant changes on the band structures of both ZGNRs and AGNRs, making the resultant systems quite different from the pristine ones and own room-temperature stable ferromagnetic (FM) ground states. While only FeN3@AGNRs possess a significant spin-dependent negative differential resistance (NDR) and a striking current polarization (nearly 100%) behaviors, due to that FeN3 introduces two isolated spin-down states, which contribute current with different performances when they couple with different frontier orbits. It is suggested that by embedding FeN3 complexes, AGNRs can be used to build spin devices in spintronics.展开更多
We report a theoretical study on producing electrically spin-polarized current in the Rashba ring with parallel double dots embedded, which are subject to two time-dependent microwave fields. By means of the Keldysh G...We report a theoretical study on producing electrically spin-polarized current in the Rashba ring with parallel double dots embedded, which are subject to two time-dependent microwave fields. By means of the Keldysh Green＇s function method, we present an analytic result of the pumped current at adiabatic limit and demonstrate that the interplay between the quantum pumping effect and spin-dependent quantum interference can lead to an arbitrarily controllable spin-polarized current in the device. The magnitude and direction of the charge and spin current can be effectively modulated by system parameters such as the pumping phase difference, Rashba precession phase, and the dynamic phase difference of electron traveling in two arms of ring; moreover, the spin-polarization degree of the charge current can also be tuned in the range [-∞, ＋∞]. Our findings may shed light on the all-electric way to produce the controllable spin-polarized charge current in the field of spintronics.展开更多
The quantum electronic transport through a precessing magnetic spin coupled to noncollinearly polarized ferromagnetic leads （F-MS-F） has been studied in this paper. The nonequilibrium Green function approach is used...The quantum electronic transport through a precessing magnetic spin coupled to noncollinearly polarized ferromagnetic leads （F-MS-F） has been studied in this paper. The nonequilibrium Green function approach is used to calculate local density of states （LDOS） and current in the presence of external bias. The characters of LDOS and the electronic current are obtained. The tunneling current is investigated for different precessing angle and different configurations of the magnetization of the leads. The investigation revea/s that when the precessing angle takes θ 〈 π /2 and negative bias is applied, the resonant tunneling current appears, otherwise, it appears when positive bias is applied. When the leads are totally polarized and the precessing angel takes O, the tunneling current changes with the configuration of two leads; and it becomes zero when the two leads are antiparallel.展开更多
To bulid the set-up for energy calibration of electron beam by the method of resonant depolarization in HLS,physics calculation is finished,and the beam loss monitor system to measure the relative change of Touscheck ...To bulid the set-up for energy calibration of electron beam by the method of resonant depolarization in HLS,physics calculation is finished,and the beam loss monitor system to measure the relative change of Touscheck lifetime made.With this system,the beam loss of Touscheck lifetime is measured.The change of Touscheck lifetime is expected to be measured due to depolarization.展开更多
For a family of smooth functions defined in multi-dimensional space,we show that,under certain generic conditions,all minimal and maximal points are non-degenerate.
For a family of smooth functions, the author shows that, under certain generic conditions, all extremal(minimal and maximal) points are non-degenerate.
基金This work was supported by the National Natural Science Foundation of China （No. 10574096） the Research Fund for the Doctoral Program of High Education （No. 20050610010）.
文摘Density functional method （B3p86） was used to optimize the structure of the molecule Fe2. The result showed that the ground electronic state for the molecule Fe2 is nonet state instead of septet state, which indicates that there is a spin polarization effect in the molecule Fe2, i.e., in which there are 8 parallel spin electrons.In this case, the number of the unpaired d-orbit electrons is the largest, and these electrons occupy different spatial orbitals so that the energy of the molecule Fe2 is minimized. Meanwhile, the spin pollution was not found because the wave functions of the ground state do not mix with those of the higher energy states. In addition, the Murrell-Sorbie potential functions with the parameters for the ground electronic state and other exited electronic states of the molecule Fe2 were derived. The dissociation energy, equilibrium bond length and the vibration frequency for the ground electronic state of the molecule Fe2 are 3.5522 eV, 0.2137 nm and 292.914 cm^-1, respectively. Its force constants f2, f3 and f4 are 1.4115×1^02 a J/nm^2, -37.1751×103^aJ/nm^3 and 98.7596× 10^4 a J/nm^4, respectively. The other spectroscopic parameters ωexe, Be and αe for the ground electronic state of Fe2 are 0.3522, 0.0345 and 0.4963× 10^-4 cm^-1, respectively.
基金The project supported by National Natural Science Foundation of China under Grant Nos. 10274069, 60471052, and 10347003, Natural Science Foundation of Zhejiang Province of China under Grant No. M603193, and the National Laboratory of Solid State Microstructures in Nanjing University under Grant No. M031802
文摘The spin-dependent transport properties in the non-collinear pattern of series of δ-magnetic barriers are studied by using scattering theory and Green＇s function methods. The Green＇s function is obtained by using distorted wave approach and the scattering matrix is related by Fisher-Lee relationship. In addition to reproducing the results of Papp＇s and Xu＇s in parallel and antiparallel configurations, we also obtain further results, where arbitrary orientations of the magnetic barriers and arbitrary number of barriers are included. The main finding of our results is that the signs of polarizations can be switched around some ＂geometric unpolarized windows＂. The well-known antiparallel configuration has no such characteristics. Furthermore, we discuss spin-related partial densities of states in both polarized and unpolarized structures.
基金The project supported in part by National Natural Science Foundation of China under Grant Nos, 10175033 and 10135030 and the Research Fund for the Doctoral Program of Higher Education under Grant No. 20030284009
文摘We investigate the behavior of the vacuum polarization of the gauge-boson Ⅱ and the wave-function renormalization factor of the fermion A in QEDs, using the coupled Dyson-Schwinger equations for the gauge-boson and fermion propagator. Using several different ansatze for the fermion-gauge-boson vertex, we find that the wave-function renormalization factor .4 and especially the vacuum polarization Ⅱ have different behaviors in the dynamical chiral symmetry breaking phase and in the chiral symmetric phase and hence in the phenomenological applications of QED3 one should choose different forms of gauge-boson propagator for these two phases. We also find that when adopting a specific ansatze of the fermion-gauge-boson vertex （ansatze （3）） the vacuum polarization function equals its one-loop perturbative result in the chiral symmetric phase. This fact suggests that in QEDs the Wigner vacuum corresponds to the perturbative vacuum.
文摘A generalized response function based on the use of dielectric spectra for dielectric relaxation process is derived. We apply the general response function to the special case in order to examine how special dielectric relaxation functions developed by other authors for solvent relaxation can be derived based on our formulations. Three typical solvents, water, methanol, and acetonitrile are used to investigate the electronic polarization processes of polar solvents. The solvent electronic polarization process is shown after a linear variation with the external electric field imposed on the solvent. The results show a conclusion that the electronic polarization of the solvents will accompany the electronic transition synchronously, without time lag.
基金supported by the National Natural Science Foundation of China(No.21643011)the Fundamental Research Foundations for the Central Universities(No.ZYGX2016J067)
文摘Motivated by the recent advances of transition-metal-nitrogen-carbon (TM-N-C) materials in catalysis, we investigate the electronic structure and transport properties of FeN3-embedded armchair and zigzag graphene nanoribbons (FeN3@AGNRs, FeN3@ZGNRs) with different widths. The first-principles results indicate that the FeN3 induces significant changes on the band structures of both ZGNRs and AGNRs, making the resultant systems quite different from the pristine ones and own room-temperature stable ferromagnetic (FM) ground states. While only FeN3@AGNRs possess a significant spin-dependent negative differential resistance (NDR) and a striking current polarization (nearly 100%) behaviors, due to that FeN3 introduces two isolated spin-down states, which contribute current with different performances when they couple with different frontier orbits. It is suggested that by embedding FeN3 complexes, AGNRs can be used to build spin devices in spintronics.
基金Supported by National Natural Science Foundation of China under Grant Nos.110704032 and 110704033the Natural Science Foundation of JiangSu Province under Grant No.BK2010416
文摘We report a theoretical study on producing electrically spin-polarized current in the Rashba ring with parallel double dots embedded, which are subject to two time-dependent microwave fields. By means of the Keldysh Green＇s function method, we present an analytic result of the pumped current at adiabatic limit and demonstrate that the interplay between the quantum pumping effect and spin-dependent quantum interference can lead to an arbitrarily controllable spin-polarized current in the device. The magnitude and direction of the charge and spin current can be effectively modulated by system parameters such as the pumping phase difference, Rashba precession phase, and the dynamic phase difference of electron traveling in two arms of ring; moreover, the spin-polarization degree of the charge current can also be tuned in the range [-∞, ＋∞]. Our findings may shed light on the all-electric way to produce the controllable spin-polarized charge current in the field of spintronics.
基金Supported by National Natural Science Foundation of China under Grant No. 10674092Shanghai Leading Academic Disciplines Project under Grant No. S30105
文摘The quantum electronic transport through a precessing magnetic spin coupled to noncollinearly polarized ferromagnetic leads （F-MS-F） has been studied in this paper. The nonequilibrium Green function approach is used to calculate local density of states （LDOS） and current in the presence of external bias. The characters of LDOS and the electronic current are obtained. The tunneling current is investigated for different precessing angle and different configurations of the magnetization of the leads. The investigation revea/s that when the precessing angle takes θ 〈 π /2 and negative bias is applied, the resonant tunneling current appears, otherwise, it appears when positive bias is applied. When the leads are totally polarized and the precessing angel takes O, the tunneling current changes with the configuration of two leads; and it becomes zero when the two leads are antiparallel.
文摘To bulid the set-up for energy calibration of electron beam by the method of resonant depolarization in HLS,physics calculation is finished,and the beam loss monitor system to measure the relative change of Touscheck lifetime made.With this system,the beam loss of Touscheck lifetime is measured.The change of Touscheck lifetime is expected to be measured due to depolarization.
基金supported by National Basic Research Program of China(973 Program)(Grant No.2013CB834100)National Natural Science Foundation of China(Grant Nos.11171146 and 11201222)the Priority Academic Program Development of Jiangsu Higher Education Institutions
文摘For a family of smooth functions defined in multi-dimensional space,we show that,under certain generic conditions,all minimal and maximal points are non-degenerate.
基金supported by the National Natural Science Foundation of China(Nos.11201222,11171146)the Basic Research Program of Jiangsu Province(No.BK2008013)a program of the Priority Academic Program Development of Jiangsu Province
文摘For a family of smooth functions, the author shows that, under certain generic conditions, all extremal(minimal and maximal) points are non-degenerate.
