We perform the ab initio calculations based on norm-conserving pseudopotentials and density functional theory to investigate the structural, elastic, and thermodynamical properties for silver nitride (AgN) compound that is a member of the 4d transition metal group and has not been synthesized yet. The obtained results are compared with the other available theoretical data, and the agreement is, generally, quite good. We also present the pressure-dependent behaviour of some mechanical and thermodynamical properties for the same compounds.
We perform the ab initio calculations based on norm-conserving pseudopotentials and density functional theory to investigate the structural, elastic, and thermodynamical properties for silver nitride (AgN) compound that is a member of the 4d transition metal group and has not been synthesized yet. The obtained results are compared with the other available theoretical data, and the agreement is, generally, quite good. We also present the pressure-dependent behaviour of some mechanical and thermodynamical properties for the same compounds.
(Electronic structure of liquid metals and semiconductors and their Alloys)
引用本文:
DELIGOZ Engin;COLAKOGLU Kemal;CIFTCI Yasemin Oztekin. Ab Initio Study on Hypothetical Silver Nitride[J]. 中国物理快报, 2008, 25(6): 2154-2157.
DELIGOZ Engin, COLAKOGLU Kemal, CIFTCI Yasemin Oztekin. Ab Initio Study on Hypothetical Silver Nitride. Chin. Phys. Lett., 2008, 25(6): 2154-2157.
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2008, Vol. 25 
