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Browsing by Author "G. P. Srivastava"

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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 calculations of surface phonons of the hydrogen-terminated Si(110)-(1 x 1) surface

Tütüncü, Hüseyin Murat; Karaca, Ertuğrul; G. P. Srivastava (ELSEVIER SCIENCE BV, 2016)

A first-principles study, using a linear-response approach based on the pseudopotential method and the generalised gradient approximation, has been made to examine the phonon spectrum of the hydrogen-terminated Si(110)-(1 ...
Ab initio investigation of BCS-type superconductivity in LuNi2B2C-type superconductors

Tütüncü, Hüseyin Murat; Uzunok, Hüseyin Yasin; Karaca, Ertuğrul; G. P. Srivastava; S. Ozer; S. Ugur (AMER PHYSICAL SOC, 2015)

Ab initio pseudopotential calculations have been made to calculate the structural, electronic, vibrational, and superconducting properties of the borocarbide superconductors RM2B2C (R = Lu, La, Y; M = Ni,Pd,Pt). Using the ...
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 superconductivity in orthorhombic MgPtSi

Tütüncü, Hüseyin Murat; Karaca, Ertuğrul; G. P. Srivastava (ELSEVIER SCIENCE SA, 2016)

We have performed an ab initio study of electronic, vibrational and superconducting properties of the orthorhombic MgPtSi by employing the density functional theory, a linear-response formalism, and the plane-wave ...
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 ...
Effects of spin-orbit coupling on the electron-phonon superconductivity in the cubic Laves-phase compounds CaIr2 and CaRh2

Tütüncü, Hüseyin Murat; Uzunok, Hüseyin Yasin; Karaca, Ertuğrul; E. Arslan; G. P. Srivastava (AMER PHYSICAL SOC, 2017)

We report our ab initio pseudopotential results for the structural, electronic, vibrational, and electron-phonon interaction properties of the cubic Laves-phase compounds CaIr2 and CaRh2. While the spin-orbit coupling (SOC) ...
Effects of spin-orbit coupling on the electron-phonon superconductivity in the cubic Laves-phase compounds CaIr2 and CaRh2

Tütüncü, Hüseyin Murat; Uzunok, Hüseyin Yasin; Karaca, Ertuğrul; Arslan, Evren; G. P. Srivastava (AMER PHYSICAL SOC, 2017)

We report our ab initio pseudopotential results for the structural, electronic, vibrational, and electron-phonon interaction properties of the cubic Laves-phase compounds CaIr2 and CaRh2. While the spin-orbit coupling (SOC) ...
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 the borocarbide superconductor ScNi2B2C

Tütüncü, Hüseyin Murat; Karaca, Ertuğrul; G. P. Srivastava (TAYLOR & FRANCIS LTD, 2017)

We have made an ab initio investigation of electron-phonon interaction and superconductivity in the borocarbide superconductor ScNi2B2C adopting the body-centred tetragonal LuNi2B2C-type of layered crystal structure. The ...
Electron-phonon interaction and superconductivity in the La3Ni2B2N3

Tütüncü, Hüseyin Murat; Karaca, Ertuğrul; Ertugrul Karaca; G. P. Srivastava (TAYLOR & FRANCIS LTD, 2017)

Based on first-principles pseudopotential plane-wave method within the generalised gradient approximation, we have studied the structural, electronic, vibrational and BCS superconducting properties of La3Ni2B2N3. The ...
Electron-phonon interaction and superconductivity in the multiband superconductor beta-Bi2Pd

S. Saib; Karaca, Ertuğrul; Tütüncü, Hüseyin Murat; G. P. Srivastava (ELSEVIER SCI LTD, 2017)

We have investigated the structural, electronic, and vibrational properties of beta-Bi2Pd in the body-centered tetragonal CaC2 structure using a generalized gradient approximation of the density functional theory and the ...
Electron-phonon superconductivity in the filled skutterudites LaRu4P12, LaRu4As12, and LaPt4Ge12

Tütüncü, Hüseyin Murat; Karaca, Ertuğrul; G. P. Srivastava (AMER PHYSICAL SOC, 2017)

We have reported on the structural, elastic, electronic, lattice dynamical and electron-phonon interaction properties of LaT4X12 (T = Ru, Pt and X = P, As, Ge) by using the generalized gradient approximation of the density ...
Electron-phonon superconductivity in the ternary phosphides BaM2P2 (M = Ni, Rh, and Ir)

Karaca, Ertuğrul; Tütüncü, Hüseyin Murat; G. P. Srivastava; S. Ugur (AMER PHYSICAL SOC, 2016)

Ab initio plane-wave pseudopotential calculations of electronic and vibrational properties have been carried out for the ternary phosphides BaM2P2 (M = Ni, Rh and Ir) with a ThCr2Si2-type structure. The calculated electronic ...
First-principles investigation of superconductivity in the body-centred tetragonal LaRu2P2

Karaca, Ertuğrul; S. Karadag; Tütüncü, Hüseyin Murat; G. P. Srivastava; S. Ugur (TAYLOR & FRANCIS LTD, 2016)

We have investigated the ground state and electronic properties of structure using a generalised gradient approximation of the density functional theory and the ab initio pseudopotential method. We find that the calculated ...
Identification of specific phonon contributions in BCS-type superconductivity of boride-carbide crystals with a layer-like structure

Uzunok, Hüseyin Yasin; Tütüncü, Hüseyin Murat; S. Ozer; S. Ugur; G. P. Srivastava (PERGAMON-ELSEVIER SCIENCE LTD, 2015)

We report On an ab initio study of the BCS-type superconductivity in the intermetallic borocarbides YPd2B2C, YPt2B2C and LaPt2B2C with a layer-like structure. The largest contribution to the electron-phonon coupling constant ...
Physical properties of the body-centred tetragonal CaPd2Ge2

Karaca, Ertuğrul; E. Arslan; Tütüncü, Hüseyin Murat; G. P. Srivastava (TAYLOR & FRANCIS LTD, 2017)

We have investigated the structural, elastic, electronic, and lattice dynamical properties of CaPd2Ge2 in the body-centred tetragonal ThCr2Si2 structure using a generalised gradient approximation of the density functional ...
Physical properties of the body-centred tetragonal CaPd2Ge2

Karaca, Ertuğrul; Arslan, Evren; Tütüncü, Hüseyin Murat; G. P. Srivastava (TAYLOR & FRANCIS LTD, 2017)

We have investigated the structural, elastic, electronic, and lattice dynamical properties of CaPd2Ge2 in the body-centred tetragonal ThCr2Si2 structure using a generalised gradient approximation of the density functional ...
Role of spin-orbit coupling in the physical properties of LaX3 (X=In, P, Bi) superconductors

Tütüncü, Hüseyin Murat; Karaca, Ertuğrul; Uzunok, Hüseyin Yasin; G. P. Srivastava (AMER PHYSICAL SOC, 2018)

We report a comprehensive and complementary study on structural, elastic, mechanical, electronic, phonon, and electron-phonon interaction properties of LaX3 (X = In, Pb, and Bi) using first-principles density functional ...