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Browsing by Subject "LATTICE-VIBRATIONS"

Now showing items 1-7 of 7

A first-principles investigation of physical properties and superconductivity of NbPS

Tutuncu, H. M.; Karaca, Ertugrul; Uzunok, H. Y.; Bagci, S.; Srivastava, G. P. (ELSEVIER, 2020)

This study reports a theoretical examination of the structural, elastic, mechanical, electronic, phonon and electron-phonon interaction properties of the body-centered orthorhombic structure of NbPS by using the generalized ...
First-principles calculations of physical properties and superconductivity of orthorhombic ScRuSi and ZrRhSi

Uzunok, H. Y.; Bagci, S.; Karaca, Ertugrul; Tutuncu, H. M.; Srivastava, G. P. (AMER PHYSICAL SOC, 2020)

We have performed ab initio pseudopotential calculations of the structural, electronic, elastic, mechanical, vibrational, electron-phonon interaction, and superconducting properties of ScRuSi and ZrRhSi. An assessment of ...
Physical properties and superconductivity of Heusler compound LiGa2Rh: A first-principles calculation

Uzunok, H. Y.; Karaca, Ertugrul; Bagci, S.; Tutuncu, H. M. (PERGAMON-ELSEVIER SCIENCE LTD, 2020)

We have conducted ab initio pseudopotential calculations with and without spin orbit coupling on the physical properties of LiGa2Rh in order to explain the formation of superconductivity. Although the inclusion of spin ...
Probing physical properties and superconductivity of noncentrosymmetric superconductors LaPtGe and LaPtGe3: A first-principles study

Uzunok, H. Y.; Zafer, T.; Tutuncu, H. M.; Karaca, Ertugrul; Bagci, S.; Srivastava, G. P. (ELSEVIER, 2020)

In this study, both scalar and full-relativistic ab initio pseudopotential calculations have been actualized on the physical and superconducting properties of noncentrosymmetric superconductors LaPtGe and LaPtGe3 in order ...
Probing the electron-phonon interaction in superconductivity for KSn2 using the Migdal-Eliashberg theory and linear-response theory

Saib, S.; Karaca, Ertugrul; Uzunok, H. Y.; Tutuncu, H. M.; Srivastava, G. P. (TAYLOR & FRANCIS LTD, 2020)

We have studied the structural and electronic properties of potassium distannide KSn crystallizing in the MgZn-type (C14) Laves structure by employing the generalised gradient approximation of the density functional theory ...
Probing the physical and superconducting properties of hexagonal ZrRuAs: A first-principles calculation

Tutuncu, H. M.; Taslipinar, B.; Uzunok, H. Y.; Karaca, Ertugrul; Bagci, S. (ELSEVIER, 2020)

In the presented work, ab initio pseudopotential calculations have been realized on structural, electronic, elastic, mechanical, phonon and electron-phonon interaction properties for ZrRuAs with the hexagonal ZrNiAl-type ...
Role of spin-orbit coupling on the physical properties of APb3 (A = Na, Ca, Y, and Th) superconductors

Tütüncü, HM; Karaca, E; Bagci, S; Uzunok, HY; Srivastava, GP (2023)

Structural, electronic, elastic, mechanical phonon and electron-phonon interaction properties of APb3 (A = Na, Ca, Y, and Th) superconductors have been investigated by using the density functional theory and the spin-orbit ...