Browsing Fen-Edebiyat Fakültesi by Author "Tutuncu, HM; Srivastava, GP;"

Now showing items 1-20 of 21

A comparative ab initio study of superconductivity in the body centered tetragonal YC2 and LaC2

Tütüncü, Hüseyin Murat; G. P. Srivastava (AMER INST PHYSICS, 2015)

Ab initio studies of the electronic band structure and phonon dispersion relations, using the planewave pseudopotential method and the density functional theory, have been made for the superconducting materials YC2 and ...
Ab initio investigation of superconductivity in noncentrosymmetric Ca3Ir4Ge4

Tütüncü, Hüseyin Murat; G. P. Srivastava (TAYLOR & FRANCIS LTD, 2015)

K is obtained, in good agreement with a recent experimental study.
Ab initio investigation of surface phonons on the (001) surface of KCl

Tütüncü, Hüseyin Murat; G. P. Srivastava (ELSEVIER, 2015)

We present an ab initio investigation of localised and resonant phonons on the relaxed KCl(001) surface. Our calculated results are in good accordance with recent high-resolution helium atom scattering measurements. The ...
Ab initio investigations of the phonon anomaly and superconductivity in fcc La

Tütüncü, Hüseyin Murat (AMER INST PHYSICS, 2008)

We have employed the ab initio plane wave pseudopotential method within a generalized gradient approximation of the density functional theory and a linear response approach to investigate the phonon anomaly and superconductivity ...
Atomic geometry, electronic states and vibrational properties of the AlAs(110) surface

Tütüncü, Hüseyin Murat (ELSEVIER SCIENCE BV, 2000)

We have investigated the atomic geometry and electronic structure of the AlAs(110) surface by using the local density approximation of the density functional theory and ab initio pseudopotentials. The structural and ...
Atomic geometry, electronic structure, and vibrational properties of the AlSb(110) and GaSb(110) surfaces

Tütüncü, Hüseyin Murat (AMER PHYSICAL SOC, 1999)

We have investigated the atomic geometry and electronic structure of the clean (110) surfaces of AlSb and GaSb using the nb initio pseudopotential theory. The calculated atomic geometry for these surfaces is in good agreement ...
Electron-phonon interaction and superconductivity in hexagonal BaSn5

Tütüncü, Hüseyin Murat; G. P. Srivastava (TAYLOR & FRANCIS LTD, 2015)

We have made an extensive study of the electronic band structure and phonon spectrum, and the electron-phonon interaction, in BaSn5 by employing an ab initio pseudopotential method and a linear response scheme. The Sn atoms ...
Electron-phonon interaction and superconductivity in SnAs with the sodium chloride crystal structure

Tütüncü, Hüseyin Murat (PERGAMON-ELSEVIER SCIENCE LTD, 2015)

The ground state and electronic properties of the recently discovered superconducting SnAs in the sodium chloride crystal structure have been examined using density functional theory within the generalized gradient ...
Electronic and vibrational properties of the As : InP(110) and Sb : InP(110) surfaces

Tütüncü, Hüseyin Murat (AMER PHYSICAL SOC, 2002)

We have investigated the atomic geometry, electronic structure, and vibrational properties of the As and Sb deposited InP(110)-(1 X 1) surface by using a combination of the plane-wave pseudopotential method and an adiabatic ...
Electronic and vibrational properties of the GaSb(110) surface

Tütüncü, Hüseyin Murat (ELSEVIER SCIENCE BV, 1999)

Results of ab initio pseudopotential calculations for atomic geometry and electronic band structure of the GaSb(110) surface are presented and discussed. The calculated atomic geometry is in good agreement with low-energy ...
Electronic structure and lattice dynamical properties of different tetragonal phases of BiFeO3

Tütüncü, Hüseyin Murat (AMER PHYSICAL SOC, 2008)

From first-principles calculations based on the plane-wave pseudopotential method within the density-functional +U scheme, we have investigated the atomic geometry, electronic band-structure, and lattice dynamical properties ...
Electronic structure and zone-center phonon modes in multiferroic bulk BiFeO3

Tütüncü, Hüseyin Murat (AMER INST PHYSICS, 2008)

We present ab initio investigations of the electronic structure and zone-center phonon modes in bulk BiFeO3 with rhombohedral R3c symmetry. The electronic structure has been studied using the plane wave pseudopotential ...
Electronic structure, phonons and electron-phonon interaction in MgXNi3 (X = B, C and N)

Tütüncü, Hüseyin Murat (IOP PUBLISHING LTD, 2006)

Ab initio calculations have been performed to study the electronic structure, phonon dispersion relations, and the electron-phonon interaction for cubic superconductors MgXNi3 with X = B, C and N. The electronic calculations ...
Electronic, vibrational, superconducting and thermodynamic properties of cubic antiperovskite ZnNNi3

Tütüncü, Hüseyin Murat (TAYLOR & FRANCIS LTD, 2013)

We present results of ab initio theoretical investigations of the structural and electronic properties of the cubic superconductor ZnNNi3 by employing the plane wave pseudopotential method within the generalized gradient ...
Origin of superconductivity in layered centrosymmetric LaNiGa2

Tütüncü, Hüseyin Murat (1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA, 2014)

We have examined the origin of superconductivity in layered centrosymmetric LaNiGa2 by employing a linear response approach based on the density functional perturbation theory. Our results indicate that this material is a ...
Phonon spectrum and density of states on GaAs(001)-beta(2)(2x4)

Tütüncü, Hüseyin Murat (AMER PHYSICAL SOC, 2007)

We have studied the lattice dynamics of the GaAs(001)-beta(2)(2x4) surface by employing two theoretical methods: an ab initio pseudopotential method and a phenomenological adiabatic bond-charge method. Both methods predict ...
Phonons and superconductivity in the cubic perovskite Cr3RhN

Tütüncü, Hüseyin Murat (AMER INST PHYSICS, 2012)

We have performed an ab initio study of structural, electronic, vibrational, and superconducting properties of Cr3RhN. The calculations have been carried out by employing the density functional theory, a linear-response ...
Phonons in zinc-blende and wurtzite phases of GaN, AlN, and BN with the adiabatic bond-charge model

Tütüncü, Hüseyin Murat (AMER PHYSICAL SOC, 2000)

The lattice dynamics of the zinc-blende and wurtzite phases of GaN, AlN, and BN is studied using the adiabatic bond-charge model. The resulting phonon spectra for zinc-blende GaN and AIN compare very well with ab initio ...
Surface dynamics of AlSb(110) and GaP(110)

Tütüncü, Hüseyin Murat (ELSEVIER SCIENCE BV, 1999)

We have investigated the lattice dynamics of the (110) surface of AlSb and GaP by employing the adiabatic bond-charge model and using the atomic geometry obtained from ab initio pseudopotential calculations. The results ...
Theoretical examination of superconductivity in the cubic antiperovskite Cr3GaN under pressure

Tütüncü, Hüseyin Murat (AMER INST PHYSICS, 2013)

We present results of a first-principles investigation of the lattice dynamics and electron-phonon coupling of Cr3GaN under pressure within a linear response approach based on density functional perturbation theory. It is ...