Browsing Makale Koleksiyonu by Author "Bahadir Salmankurt"

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First-principles study of structural, mechanical, lattice dynamical and thermal properties of nodal-line semimetals ZrXY (X=Si, Ge; Y=S, Se)

Bahadir Salmankurt; Duman, Sıtkı (TAYLOR & FRANCIS LTD, 2017)

The nodal-line semimetals are new and very promising materials for technological applications. To understand their structural, mechanical, lattice dynamical and thermal properties in detail, we have investigated theoretical ...
Investigation of structural, mechanical, electronic, optical, and dynamical properties of cubic BaLiF3, BaLiH3, and SrLiH3

Yalçın, Battal Gazi; Bahadir Salmankurt; Duman, Sıtkı (IOP PUBLISHING LTD, 2016)

The structural, mechanical, electronic, optical, and dynamical properties of BaLiF3, BaLiH3, and SrLiH3 cubic perovskite materials are theoretically investigated by using first principles calculations. Obtained results are ...
Investigation of the structural, mechanical, dynamical and thermal properties of CsCaF3 and CsCdF3

Bahadir Salmankurt; Duman, Sıtkı (IOP PUBLISHING LTD, 2016)

The structural, mechanical, dynamical and thermal properties of CsCaF3 and CsCdF3 are presented by using an ab initio pseudopotential method and a linear response scheme, within the generalized gradient approximation. The ...