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First principles study of the structural, mechanical, phonon, optical, and thermodynamic properties of half-Heusler (HH) compound NbFeSb

Çoban, Cansu; Çolakoglu, Kemal; Çiftci, Yasemin Öztekin (Iop Publishing Ltd, 2015)

We studied the structural, mechanical, phonon, optical and thermodynamic properties of MgAgAs-based NbFeSb compound by means of first-principles based on the density functional theory. The calculated lattice constant is ...
The structural, electronic, elastic, vibrational, and thermodynamic properties of hoX (X=Sb, Bi)

Çoban, Cansu; Çolakoglu, Kemal; Çiftci, Yasemin Öztekin (Elsevier Science Bv, 2010)

We have predicted the structural, electronic, elastic, vibrational, and thermodynamic characteristics of HoX (X=Sb, Bi) compounds in NaCl type (B1) structure through the method of density functional theory within the ...