Structural stability and electronic properties of Co2N, Rh2N and Ir2N
Data(s) |
2008
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Resumo |
The structural stability and electronic properties of Co2N, Rh2N and Ir2N were Studied by using the first principles based on the density functional theory. Two Structures were considered for each nitride, orthorhombic Pnnm phase and cubic Pa (3) over bar phase. The results show that they are all mechanically stable. Co2N in both phases are thermodynamically stable due to the negative formation energy, while the remaining two compounds are thermodynamically unstable. |
Identificador | |
Idioma(s) |
英语 |
Fonte |
Wu ZJ;Zhao EJ.Structural stability and electronic properties of Co2N, Rh2N and Ir2N,JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS,2008,69(11):2723-2727 |
Palavras-Chave | #DIAMOND-ANVIL CELL #CRYSTAL-STRUCTURE #10 GPA #NITRIDES #NITROGEN #CON |
Tipo |
期刊论文 |