Project (11271121) supported by the National Natural Science Foundation of China;Project (11JJ2002) supported by the Natural Science Foundation of Hunan Province,China;Project (11K038) supported by Key Laboratory of High Performance Computing and Stochastic Information Processing of Ministry of Education of China;Projects (2013GK3130,2014GK3090) supported by the Scientific and Techrnological Plan of Hunan Province,China
The electronic structures,chemical bonding,elastic and optical properties of the ternary stannide phase Na2MgSn were investigated by using density-fimctional theory(DFT) within generalized gradient approximation(GG...
Project(11271121)supported by the National Natural Science Foundation of China;Project(11JJ2002)supported by the Natural Science Foundation of Hunan Province,China;Project(11K038)supported by Key Laboratory of High Performance Computing and Stochastic Information Processing of Hunan Province,China;Project(2013GK3130)supported by the Scientific and Technological Plan Project of Hunan Province,China
The electronic structures, chemical bonding and elastic properties of the Co2P-type structure phase ultra-incompressible Re2P (orthorhombic phase) were investigated by density-functional theory (DFT) within genera...
Project (51104188) supported by the National Natural Science Foundation for Young Scholars of China
The effects of the Cr3C2 content and wheel speed on the amorphization behavior of the melt-spun SmCo7-x(Cr3C2)x (x=0.10-0.25) alloys were studied systematically by X-ray diffraction analysis (XRD), differential ...
Project (60571043) supported by the National Natural Science Foundation of China;Project (11JJ2002) supported by the Natural Science Foundation of Hunan Province, China
The electronic structures, chemical bonding and elastic properties of the tetragonal phase BiOCuS were investigated by using density-functional theory (DFT) within generalized gradient approximation (GGA). The cal...