Aycibin, MuratDogan, Emel KilitGulebaglan, Sinem E.Secuk, M. NurullahErdinc, BahattinAkkus, Harun2025-05-102025-05-1020142352-214310.1016/j.cocom.2014.10.0042-s2.0-84922022484https://doi.org/10.1016/j.cocom.2014.10.004https://hdl.handle.net/20.500.14720/15741Aycibin, Murat/0000-0002-2634-3082In 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. (C) 2014 The Authors. Published by Elsevier B.V.eninfo:eu-repo/semantics/openAccessElectronic StructureSemiconductorsThermo-Dynamic PropertiesOptic PropertiesAb Initio CalculationsArticle1N/AQ23237WOS:000433737600006