机译:通过第一原理计算,通过第一原理计算的各向异性机械性能和过渡金属碳氮化碳碳氮(M = V / Ti / Ta,Nb,HF和Zr)的各向异性机械性能和电子结构
Material Science and Engineering Research Center School of Mechanical Electronic and Control Engineering Beijing Jiaotong University Beijing 100044 China;
Material Science and Engineering Research Center School of Mechanical Electronic and Control Engineering Beijing Jiaotong University Beijing 100044 China;
Faculty of Material Science and Engineering Kunming University of Science and Technology Kunming 650093 China;
Material Science and Engineering Research Center School of Mechanical Electronic and Control Engineering Beijing Jiaotong University Beijing 100044 China;
Material Science and Engineering Research Center School of Mechanical Electronic and Control Engineering Beijing Jiaotong University Beijing 100044 China;
Material Science and Engineering Research Center School of Mechanical Electronic and Control Engineering Beijing Jiaotong University Beijing 100044 China;
Faculty of Material Science and Engineering Kunming University of Science and Technology Kunming 650093 China;
Transition metal carbonitrides; Mechanical properties; First-principles calculations; Electronic structure;
机译:常压和高静水压下MN_xC_(1-x)(M = Ti,Zr,Hf; 0≤x≤1)碳氮化物的结构,弹性和电子性能的第一性原理计算
机译:立方过渡金属氮化物Mn的结构,电子,光学,机械和吸附性能的第一原理研究(M = Ti,Zr和Hf)
机译:早期过渡金属的均质[tris(2,2'-联吡啶)M]〜n配合物的电子结构(M = Sc,Y,Ti,Zr,Hf,V,Nb,Ta; N = 1+,0, 1-,2-,3-):实验和密度泛函理论研究
机译:IVB-GROM-过渡金属氮化物,ZRN和HFN的机械性能研究的第一原理研究
机译:准一维过渡金属三氯化物的电子性质:TIS3和ZRS3
机译:通过第一性原理计算钙钛矿晶体中掺入的过渡金属对电子结构和磁性能的影响
机译:结构,弹性和电子的第一性原理计算
在环境温度下mNxC1-x(m = Ti,Zr,Hf; 0