The critical behaviors of a mixed spin-1/2 and spin-sB Ising system with a transverse crystal field are studiedby use of the effective-field theory with correlations. The effect of the transverse crystal field on tran...The critical behaviors of a mixed spin-1/2 and spin-sB Ising system with a transverse crystal field are studiedby use of the effective-field theory with correlations. The effect of the transverse crystal field on transition temperaturesis investigated numerically for the honeycomb (z = 3) and square (z = 4) lattices. The results show that there is notricritical point for the system.展开更多
By means of density functional theory calculations, an orthogonal boron-carbon-nitrogen compound called （3,0）- BC2N is predicted, which can be obtained by transversely compressing （3,03 carbon nanotubes （CNTs） an...By means of density functional theory calculations, an orthogonal boron-carbon-nitrogen compound called （3,0）- BC2N is predicted, which can be obtained by transversely compressing （3,03 carbon nanotubes （CNTs） and boron nitride nanotubes （BNNTs）. Its structural stability, elastic properties, mechanical properties and electronic structure are systematically investigated. The results show that （3,0）-BU2N is a superhard material with a direct bandgap. However, its similar structures, （3,0）-C and （3,0）-BN are indirect semiconductors. Strikingly, （3,0）-C is harder than diamond. We also simulate the x-ray diffraction of （3,0）-BC2N to support future experimental investigations. In addition, our study shows that the transition from （3,03 CNTS and BNNTs to （3,0）-BC2N is irreversible.展开更多
基金The project supported by Science Foundation of the Ministry of Education of China under Grant No.99026
文摘The critical behaviors of a mixed spin-1/2 and spin-sB Ising system with a transverse crystal field are studiedby use of the effective-field theory with correlations. The effect of the transverse crystal field on transition temperaturesis investigated numerically for the honeycomb (z = 3) and square (z = 4) lattices. The results show that there is notricritical point for the system.
基金Supported by the National Natural Science Foundation of China under Grant No 11464028the Science Foundation of Department of Education of Jiangxi Province under Grant No GJJ150025
文摘By means of density functional theory calculations, an orthogonal boron-carbon-nitrogen compound called （3,0）- BC2N is predicted, which can be obtained by transversely compressing （3,03 carbon nanotubes （CNTs） and boron nitride nanotubes （BNNTs）. Its structural stability, elastic properties, mechanical properties and electronic structure are systematically investigated. The results show that （3,0）-BU2N is a superhard material with a direct bandgap. However, its similar structures, （3,0）-C and （3,0）-BN are indirect semiconductors. Strikingly, （3,0）-C is harder than diamond. We also simulate the x-ray diffraction of （3,0）-BC2N to support future experimental investigations. In addition, our study shows that the transition from （3,03 CNTS and BNNTs to （3,0）-BC2N is irreversible.
