Electronic structure,elastic and lattices dynamic properties of PtX2(X=P,As,Sb)from first-principles

• 作 者: Xiaoma Tao Mei Wang Wen Yuan Hongmei Chen Xiaoming Mo Yifang Ouyang
• 机 构: Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology,Co
• 出 处: 第二十届全国半导体物理学术会议
• 发表日期: 2015年3期

　　The structural,electronic density of states,band structure,elastic constants,and lattices dynamic properties of FeS2-prototype PtX2(X=P,As,Sb)have been simulated by using first-principles calculations.