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First - Principles studies of CaX (X = In, Tl) intermetalic compounds

Özayman M.; Öztekin Çiftçi, Yasemin; Çolakoǧlu, Kemal; Deligöz, Engin (2011)

Ab initio calculations based on the density functional theory within generalized-gradient (GGA) apraximation have been performed to carry out the structural, electronic, elastic, and thermodynamic properties of CaX (X=In, ...

The stabilities, electronic structures and elastic properties of Rb-As systems

Boğaz Özışık, Havva; Çolakoǧlu, Kemal; Deligöz, Engin; Özışık, Hacı (IOP PUBLISHING LTD, 2012)

The structural, electronic and elastic properties of Rb-As systems (RbAs in NaP, LiAs and AuCu structures, RbAs2 in the MgCu2 structure, Rb3As in Na3As, Cu3P and Li3Bi structures, and Rb5As4 in the A(5)B(4) structure) are ...