| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1559697 | Computational Condensed Matter | 2014 | 6 Pages |
Abstract
In this paper, we investigated electronic, optic, elastic, dynamic and thermodynamic properties of RbAu compound by density functional theory within the generalized gradient approximation. The calculated static value of real part of dielectric constant is 6.7. The calculated electronic band structure of RbAu shows that RbAu is a semiconductor with an indirect band gap of 0.36 eV. Besides, RbAu obeys mechanical stability and it demonstrates elastic anisotropy. 540K is classical limit for specific heat of RbAu.
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Materials Science
Materials Science (General)
Authors
Murat Aycibin, Emel Kilit Dogan, Sinem E. Gulebaglan, M. Nurullah Secuk, Bahattin Erdinc, Harun Akkus,