The structural, electronic, and magnetic properties of VSb in zincblende, and NiAs phases, VSb （001） film surfaces and its interfaces with GaSh （001） have been investigated within the framework of the density func...The structural, electronic, and magnetic properties of VSb in zincblende, and NiAs phases, VSb （001） film surfaces and its interfaces with GaSh （001） have been investigated within the framework of the density functional theory using the FPLAPW＋lo approach. The NiAs structure is more stable than the ZB phase, ZB VSb is found to a half-metallic ferromagnetic. The V-terminated surfaces retain the half-metallic character, while the half-metallicity is destroyed for Sb-terminated surfaces due to surface states, which originate from p electrons. The phase diagram obtained through the ab-initio atomistic thermodynamics shows that the formation energy of ZB VSb is about 0.1 Ryd. The half-metallicity character is also preserved at VSb/GaSb （001） interface. The conduction band minimum （CBM） of VSb in the minority spin case lies about 0.47 eV above that of GaSb, suggesting that the majority spin can be injected into GaSb without being flipped to the conduction bands of the minority spin.展开更多
In this paper, we present Continuous Multiple Center(CMC) d-p πbond in TS_2 slabs on the basis of Extended Huckle calculation for incommensurate misfit compounds (MS)_xTS_2(where M=Pb, Sn and La; T=V,Nb,Ta, Cr), and ...In this paper, we present Continuous Multiple Center(CMC) d-p πbond in TS_2 slabs on the basis of Extended Huckle calculation for incommensurate misfit compounds (MS)_xTS_2(where M=Pb, Sn and La; T=V,Nb,Ta, Cr), and put forwards the trigonal prismatic coordination CMC d-p π conductive model. According to this model the conductivity of (MS)_xTS_2 series and the similarity between (MS)_xTS_2 and Na_xTS_2 series compounds in metallic behaviors can be explained successfully. Some relations between metallic behaviors and CMC d-p π bond (or band) are found.展开更多
The temporal property of grey screening spatial solitons due to two-photon photorefractive effect in lowamplitude regime is analyzed. The results indicate that a broad solitons is generated at the beginning, and as ti...The temporal property of grey screening spatial solitons due to two-photon photorefractive effect in lowamplitude regime is analyzed. The results indicate that a broad solitons is generated at the beginning, and as time evolves, the intensity width of grey solitons decreases monotonically to a minimum value toward steady state. In the same propagation time, the FWHM of solitons decreases with p increasing or m decreasing. Moreover, the formation time of solitons is independent of p and m. The time is close to a constant determined by the dielectric relaxation time.展开更多
The properties of the low-lying energy states for the l00 Mo isotope is investigated within the framework of the proton-neutron interacting model IBM2. By considering the relative energy of the d proton boson to be di...The properties of the low-lying energy states for the l00 Mo isotope is investigated within the framework of the proton-neutron interacting model IBM2. By considering the relative energy of the d proton boson to be different from that of the neutron boson and taking into account the dipole interacting among like-boson Lπ·Lπ and Lπ·Lπ, the low-lying energy spectrum is reproduced well. Particularly, the relative position of the energies for 2＋1, 0＋2, 2＋2 and 4＋1 states shifted correctly fit the experimental data. The electromagnetic properties, including the key observable B（E2） reduced transition branching ratios and the E2 reduced matrix elements of the experimental data, are well described. Our calculations show possible shape coexistence in the l00Mo nucleus.展开更多
文摘The structural, electronic, and magnetic properties of VSb in zincblende, and NiAs phases, VSb （001） film surfaces and its interfaces with GaSh （001） have been investigated within the framework of the density functional theory using the FPLAPW＋lo approach. The NiAs structure is more stable than the ZB phase, ZB VSb is found to a half-metallic ferromagnetic. The V-terminated surfaces retain the half-metallic character, while the half-metallicity is destroyed for Sb-terminated surfaces due to surface states, which originate from p electrons. The phase diagram obtained through the ab-initio atomistic thermodynamics shows that the formation energy of ZB VSb is about 0.1 Ryd. The half-metallicity character is also preserved at VSb/GaSb （001） interface. The conduction band minimum （CBM） of VSb in the minority spin case lies about 0.47 eV above that of GaSb, suggesting that the majority spin can be injected into GaSb without being flipped to the conduction bands of the minority spin.
文摘In this paper, we present Continuous Multiple Center(CMC) d-p πbond in TS_2 slabs on the basis of Extended Huckle calculation for incommensurate misfit compounds (MS)_xTS_2(where M=Pb, Sn and La; T=V,Nb,Ta, Cr), and put forwards the trigonal prismatic coordination CMC d-p π conductive model. According to this model the conductivity of (MS)_xTS_2 series and the similarity between (MS)_xTS_2 and Na_xTS_2 series compounds in metallic behaviors can be explained successfully. Some relations between metallic behaviors and CMC d-p π bond (or band) are found.
基金Supported by the Science and Technology Development Foundation of Higher Education of Shanxi Province under Grant No.200611042 Basic Research Foundation of Yuncheng University under Grant No.JC-2009003
文摘The temporal property of grey screening spatial solitons due to two-photon photorefractive effect in lowamplitude regime is analyzed. The results indicate that a broad solitons is generated at the beginning, and as time evolves, the intensity width of grey solitons decreases monotonically to a minimum value toward steady state. In the same propagation time, the FWHM of solitons decreases with p increasing or m decreasing. Moreover, the formation time of solitons is independent of p and m. The time is close to a constant determined by the dielectric relaxation time.
基金supported by the National Natural Science Foundation of China(Grant No.11075052)the Natural Science Foundation of Zhejiang Province(Grant No.KY6100135)
文摘The properties of the low-lying energy states for the l00 Mo isotope is investigated within the framework of the proton-neutron interacting model IBM2. By considering the relative energy of the d proton boson to be different from that of the neutron boson and taking into account the dipole interacting among like-boson Lπ·Lπ and Lπ·Lπ, the low-lying energy spectrum is reproduced well. Particularly, the relative position of the energies for 2＋1, 0＋2, 2＋2 and 4＋1 states shifted correctly fit the experimental data. The electromagnetic properties, including the key observable B（E2） reduced transition branching ratios and the E2 reduced matrix elements of the experimental data, are well described. Our calculations show possible shape coexistence in the l00Mo nucleus.
