标题:First-principles investigation of mechanical, thermodynamic and electronic properties of FeSn_5 and CoSn_5 phases
作者:Wenming Sun;Liang Zhang;Jing Liu;Hong Wang;Yuxiang Bu;
作者机构:[Wenming Sun;Liang Zhang;Jing Liu;Hong Wang;Yuxiang Bu]State Key Laboratory of Green Building Materials,China Building Materials Academy;[Wenming Sun; 更多
会议名称:第九届计算纳米科学与新能源材料国际研讨会
来源:第九届计算纳米科学与新能源材料国际研讨会论文摘要集
出版年:2016
关键词:Intermetallic phase;Formation enthalpy;Anode materials
摘要:The mechanical, thermodynamic and electronic properties of FeSn_5 and CoSn_5 intermetallic phases at zero pressure have been systemically investigated by first-principles calculations using ultrasoft pseudopotential and generalized gradient approximation(GGA). The equilibrium lattice constants of Fe...
资源类型:会议论文
原文链接:http://kns.cnki.net/kns/detail/detail.aspx?FileName=SDWL201606001170&DbName=IPFD2017
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