We have calculated the phonon dispersion and the electron-phonon interaction in palladium at ambient and under pressure using ab initio methods and evaluated superconducting transition temperature on the basis of the BCS theory. At ambient pressure, we have evaluated the electron-phonon coupling constant to be λ=0.377 by the use of the density-functional perturbation theory, and estimated the spin fluctuation effect in relation to the experimental data of specific heat. The vanishing of the superconducting transition at ambient pressure is resulted from the spin fluctuation effect. The spin fluctuation effect reduces with increasing pressure, and the superconductivity appears under pressure
The evolution of electrical transport properties, the electronic band structure, and lattice dynamic...
In this thesis the ground state electronic properties, lattice dynamics, electron-phonon coupling an...
Analysis of the temperature-pressure phase diagram of the centered monoclinic phase of TTF(Pd(dmit)2...
First-principles and classical molecular dynamics simulations have been performed to study the struc...
This is the final version of the article. Available from AIP via the DOI in this record.We present r...
544-550In the present theoretical study, we have calculated superconducting state parameters (SSPs) ...
We present an ab initio study of the ternary hydride PdCuH x, a parent compound of the superconducti...
The structural, electronic, elastic and lattice dynamic along with the allied properties like superc...
We compute the phonon dispersion, density of states, and the Grüneisen parameters of bulk palladium ...
The phonon dispersion and the electron-phonon interaction for the β-Po and the bcc high pressure pha...
A suite of density functional theory (DFT) approaches that provide accurate and reliable superconduc...
Inelastic neutron scattering was used to measure the phonon density of states in fcc palladium and p...
The high-pressure phase diagram of P is studied using density functional total energy, linear respon...
In recent years, palladium has proven to be a crucial component for devices ranging from nanotube fi...
The transition metal dichalcogenide PdTe2 has attractive features based on its classification as a t...
The evolution of electrical transport properties, the electronic band structure, and lattice dynamic...
In this thesis the ground state electronic properties, lattice dynamics, electron-phonon coupling an...
Analysis of the temperature-pressure phase diagram of the centered monoclinic phase of TTF(Pd(dmit)2...
First-principles and classical molecular dynamics simulations have been performed to study the struc...
This is the final version of the article. Available from AIP via the DOI in this record.We present r...
544-550In the present theoretical study, we have calculated superconducting state parameters (SSPs) ...
We present an ab initio study of the ternary hydride PdCuH x, a parent compound of the superconducti...
The structural, electronic, elastic and lattice dynamic along with the allied properties like superc...
We compute the phonon dispersion, density of states, and the Grüneisen parameters of bulk palladium ...
The phonon dispersion and the electron-phonon interaction for the β-Po and the bcc high pressure pha...
A suite of density functional theory (DFT) approaches that provide accurate and reliable superconduc...
Inelastic neutron scattering was used to measure the phonon density of states in fcc palladium and p...
The high-pressure phase diagram of P is studied using density functional total energy, linear respon...
In recent years, palladium has proven to be a crucial component for devices ranging from nanotube fi...
The transition metal dichalcogenide PdTe2 has attractive features based on its classification as a t...
The evolution of electrical transport properties, the electronic band structure, and lattice dynamic...
In this thesis the ground state electronic properties, lattice dynamics, electron-phonon coupling an...
Analysis of the temperature-pressure phase diagram of the centered monoclinic phase of TTF(Pd(dmit)2...