国家自然科学基金(11JJ2002)

作品数：4被引量：1H指数：1
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相关作者：夏庆林潘留仙王一夫余燕刘自然更多>>
相关机构：中南大学湖南涉外经济学院湖南师范大学更多>>
相关期刊：《Transactions of Nonferrous Metals Society of China》《Journal of Central South University》更多>>
相关主题：FIRST_PRINCIPLESELECTRONIC_STRUCTURESELECTRONIC_STRUCTUREPROPERTIES_OFELASTIC更多>>
相关领域：理学电子电信金属学及工艺更多>>
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First principles calculation on ternary stannide phase narrow band gap semiconductor Na_2MgSn被引量：1
《Transactions of Nonferrous Metals Society of China》2014年第6期1853-1858,共6页王一夫 夏庆林 潘留仙 余燕 
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...
关键词：stannide phase Na2MgSn first principles electronic structures chemical bonding elastic properties optical properties 
First principles calculation on electronic structure,chemical bonding,elastic and optical properties of novel tungsten triboride
《Journal of Central South University》2014年第2期500-505,共6页王一夫 夏庆林 余燕 
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 Computational and Stochastic Mathematics of Ministry of Education of China;Project(2013GK3130)supported by the Scientific and Technological Plan of Hunan Province,China
The electronic structures,chemical bonding,elastic and optical properties of the novel hP24 phase WB3 were investigated by using density-functional theory(DFT) within generalized gradient approximation(GGA).The calcul...
关键词：hP24-WB3 first principles calculation electronic structure chemical bonding elastic properties optical properties 
First principles calculation of electronic structure, chemical bonding and elastic properties of ultra-incompressible Re_2P
《Transactions of Nonferrous Metals Society of China》2013年第11期3400-3404,共5页王一夫 夏庆林 余燕 
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...
关键词：Re2P first principles electronic structures chemical bonding elastic properties 
First principles study of electronic structure, chemical bonding and elastic properties of BiOCuS
《Transactions of Nonferrous Metals Society of China》2012年第5期1197-1202,共6页潘留仙 夏庆林 叶绍龙 丁宁 刘自然 
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...
关键词：BiOCuS first principles electronic structures chemical bonding elastic properties 
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