By means of improved ligand-field theory, the ＂pure electronic＂ pressure-induced shift （PS） and the PS due to electron-phonon interaction （EPI） of R-line of MgO：Cr^3＋ have been calculated, respectively. The ca...By means of improved ligand-field theory, the ＂pure electronic＂ pressure-induced shift （PS） and the PS due to electron-phonon interaction （EPI） of R-line of MgO：Cr^3＋ have been calculated, respectively. The calculated results are in very good agreement with the experimental data. The behaviors of the pure electronic PS of R-line of MgO：Cr^3＋ and the PS of its R-line due to EPI are different. It is the combined effect of them that gives rise to the total PS of R-line, which has satisfactorily explained the experimental results. The comparison between the feature of R-line PS of MgO：Cr^3＋ and that of R1-line PS of ruby has been made.展开更多
Armchair carbon nanocoils (CNCs) with different geometric parameters are constructed and optimized using a tight-binding (TB) total energy model. The quantum conductance of these nanocoils is simulated employing a π-...Armchair carbon nanocoils (CNCs) with different geometric parameters are constructed and optimized using a tight-binding (TB) total energy model. The quantum conductance of these nanocoils is simulated employing a π-orbital TB model incorporated with the non-equilibrium Green's function theory. Compared with the perfect armchair carbon nanotubes (CNTs) and armchair CNTs with only Stone-Wales (SW) defects, the quantum conductance spectra of the armchair CNCs present distinct gaps around the Fermi level, which are mainly originated from the existence of sp3 carbon in the three-dimensional spiral structures. Moreover, the detailed conductance spectra of the armchair CNCs depend sensitively on their geometric parameters, such as tubular diameter and block-block distance.展开更多
Employing variational method of Pekar type(VMPT), this paper investigates the first-excited state energy(FESE), excitation energy and transition frequency of the strongly-coupled polaron in the Cs I quantum pseudodot(...Employing variational method of Pekar type(VMPT), this paper investigates the first-excited state energy(FESE), excitation energy and transition frequency of the strongly-coupled polaron in the Cs I quantum pseudodot(QPD)with electric field. The temperature effects on the strong-coupling polaron in electric field are calculated by using the quantum statistical theory(QST). The results from the present investigation show that the FESE, excitation energy and transition frequency increase(decrease) firstly and then at lower(higher) temperature regions. They are decreasing functions of the electric field strength.展开更多
A phenomenological thermodynamic theory is applied to investigate the effect of misfit strgin and electric field on the electrocaloric effect of P（VDF-TrFN）/SrTiO3 bilayer thin films. Theoretical results indicate th...A phenomenological thermodynamic theory is applied to investigate the effect of misfit strgin and electric field on the electrocaloric effect of P（VDF-TrFN）/SrTiO3 bilayer thin films. Theoretical results indicate that the low electric field results in the decrease of the average polarization with the increase of the relative thickness of SrTi03 layer, and the high electric field has an opposite effect on it. Moreover, the electroealoric effect strongly depends on the electric field. The low electric field and the small field change can lead to a maximum of the electrocaloric effect, meanwhile the high electric field or the large field change results in the opposite trend.展开更多
文摘By means of improved ligand-field theory, the ＂pure electronic＂ pressure-induced shift （PS） and the PS due to electron-phonon interaction （EPI） of R-line of MgO：Cr^3＋ have been calculated, respectively. The calculated results are in very good agreement with the experimental data. The behaviors of the pure electronic PS of R-line of MgO：Cr^3＋ and the PS of its R-line due to EPI are different. It is the combined effect of them that gives rise to the total PS of R-line, which has satisfactorily explained the experimental results. The comparison between the feature of R-line PS of MgO：Cr^3＋ and that of R1-line PS of ruby has been made.
基金supported by the Fundamental Research Funds for the Central Universities of China (Grant No. DUT10ZD211)the National Natural Science Foundation of China (Grant Nos. 51072027 and 40874039)
文摘Armchair carbon nanocoils (CNCs) with different geometric parameters are constructed and optimized using a tight-binding (TB) total energy model. The quantum conductance of these nanocoils is simulated employing a π-orbital TB model incorporated with the non-equilibrium Green's function theory. Compared with the perfect armchair carbon nanotubes (CNTs) and armchair CNTs with only Stone-Wales (SW) defects, the quantum conductance spectra of the armchair CNCs present distinct gaps around the Fermi level, which are mainly originated from the existence of sp3 carbon in the three-dimensional spiral structures. Moreover, the detailed conductance spectra of the armchair CNCs depend sensitively on their geometric parameters, such as tubular diameter and block-block distance.
基金Supported by the National Natural Science Foundation of China under Grant No.11464033
文摘Employing variational method of Pekar type(VMPT), this paper investigates the first-excited state energy(FESE), excitation energy and transition frequency of the strongly-coupled polaron in the Cs I quantum pseudodot(QPD)with electric field. The temperature effects on the strong-coupling polaron in electric field are calculated by using the quantum statistical theory(QST). The results from the present investigation show that the FESE, excitation energy and transition frequency increase(decrease) firstly and then at lower(higher) temperature regions. They are decreasing functions of the electric field strength.
基金Supported by the National Natural Science Foundation of China under Grant No. 10904053Sponsored by the Priority Academic Program Development of Jiangsu Higher Education Institutions and Qing Lan Project
文摘A phenomenological thermodynamic theory is applied to investigate the effect of misfit strgin and electric field on the electrocaloric effect of P（VDF-TrFN）/SrTiO3 bilayer thin films. Theoretical results indicate that the low electric field results in the decrease of the average polarization with the increase of the relative thickness of SrTi03 layer, and the high electric field has an opposite effect on it. Moreover, the electroealoric effect strongly depends on the electric field. The low electric field and the small field change can lead to a maximum of the electrocaloric effect, meanwhile the high electric field or the large field change results in the opposite trend.
