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Ab Initio Study on Hypothetical Silver Nitride |
DELIGOZ Engin1;COLAKOGLU Kemal2;CIFTCI Yasemin Oztekin2 |
| 1Department of Physics, Aksaray University, 68100, Aksaray, Turkey2Department of Physics, Gazi University, Teknikokullar, 06500, Ankara, Turkey |
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DELIGOZ Engin, COLAKOGLU Kemal, CIFTCI Yasemin Oztekin 2008 Chin. Phys. Lett. 25 2154-2157 |
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Abstract 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.
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| Keywords:
62.20.-x
62.20.Dc
71.22.+i
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Received: 14 February 2008
Published: 31 May 2008
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| PACS: |
62.20.-x
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(Mechanical properties of solids)
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62.20.Dc
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71.22.+i
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(Electronic structure of liquid metals and semiconductors and their Alloys)
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