Ushbu ish iqtibos qilgan ishlar

75 ta ish

Ish: First-principles investigation of the electronics, optical, mechanical, thermodynamics and thermoelectric properties of Na based Quaternary Heusler alloys (QHAs) NaHfXGe (X = Co, Rh, Ir)

Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof
Maqola1996196 iqtibos
ABI
Special points for Brillouin-zone integrations
Hendrik J. Monkhorst, J.D. Pack
Maqola197675 iqtibos
ABI
From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse, Daniel P. Joubert
Maqola199949 iqtibos
ABI
The Compressibility of Media under Extreme Pressures
F. D. Murnaghan
MaqolaOchiq kirish194440 iqtibos
ABI
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi, Stefano Baroni, Nicola Bonini +30
MaqolaOchiq kirish200928 iqtibos
ABI
The Elastic Behaviour of a Crystalline Aggregate
R. Hill
Maqola195223 iqtibos
ABI
Necessary and sufficient elastic stability conditions in various crystal systems
Félix Mouhat, François‐Xavier Coudert
MaqolaOchiq kirish201419 iqtibos
ABI
Linear optical properties of solids within the full-potential linearized augmented planewave method
Claudia Draxl, Jorge O. Sofo
MaqolaOchiq kirish200618 iqtibos
ABI
BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients
Georg K. H. Madsen, Jesús Carrete, Matthieu J. Verstraete
MaqolaOchiq kirish201815 iqtibos
ABI
A fast and robust algorithm for Bader decomposition of charge density
Graeme Henkelman, Andri Arnaldsson, Hannes Jónsson
Maqola200514 iqtibos
ABI
On the stability of crystal lattices. I
Max Born
Maqola194011 iqtibos
ABI
Phonons and related crystal properties from density-functional perturbation theory
Stefano Baroni, Stefano de Gironcoli, Andrea Dal Corso +1
MaqolaOchiq kirish200110 iqtibos
ABI
Advanced capabilities for materials modelling with Quantum ESPRESSO
Paolo Giannozzi, O Andreussi, T Brumme +47
MaqolaOchiq kirish201710 iqtibos
ABI
Berechnung der Fließgrenze von Mischkristallen auf Grund der Plastizitätsbedingung für Einkristalle .
A. Reuss
Maqola192910 iqtibos
ABI
Deformation Potentials in Silicon. I. Uniaxial Strain
Leonard Kleinman
Maqola19628 iqtibos
ABI
Density-functional theory and NiO photoemission spectra
В. И. Анисимов, I. V. Solovyev, M. A. Korotin +2
Maqola19937 iqtibos
ABI
Heat flow and lattice vibrations in glasses
David G. Cahill, R. O. Pohl
MaqolaOchiq kirish19897 iqtibos
ABI
Lehrbuch der Kristallphysik
Woldemar Voigt
Kitob19667 iqtibos
ABI
Lattice dynamics and elastic properties of Mg3As2 and Mg3Sb2 compounds from first-principles calculations
Jun-ichi Tani, Masanari Takahashi, Hiroyasu Kido
Maqola20106 iqtibos
ABI
Electronic, magnetic, vibrational, and X-ray spectroscopy of inverse full-Heusler Fe2IrSi alloy
Lalrinkima Lalrinkima, Chinedu E. Ekuma, Timothy C. Chibueze +4
Maqola20216 iqtibos
ABI
Electronic, mechanical, optical and piezoelectric properties of glass-like sodium silicate (Na2SiO3) under compressive pressure
R. Zosiamliana, Lalrinkima Lalrinkima, B. Chettri +3
MaqolaOchiq kirishGlass properties and applicationsRSC Advances20226 iqtibos
ABI
Structural, electronic, mechanical, and thermoelectric properties of <scp>LiTiCoX</scp> (X = Si, Ge) compounds
Jaspal Singh, Kulwinder Kaur, Shakeel Ahmad Khandy +3
MaqolaOchiq kirish20216 iqtibos
ABI
Q<scp>uantum</scp> ESPRESSO toward the exascale
Paolo Giannozzi, Oscar Baseggio, Pietro Bonfà +12
MaqolaOchiq kirish20205 iqtibos
ABI
Pressure effect on the structural and elastic property of Hf2InC
Haichuan Chen, Lijun Yang
Maqola20114 iqtibos
ABI
Calculations of the Grüneisen Parameter for Some Models of the Solid
Albert C. Holt, Marvin Ross
Maqola19704 iqtibos
ABI

Ushbu ish iqtibos qilgan ishlar

Generalized Gradient Approximation Made Simple

Special points for Brillouin-zone integrations

From ultrasoft pseudopotentials to the projector augmented-wave method

The Compressibility of Media under Extreme Pressures

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

The Elastic Behaviour of a Crystalline Aggregate

Necessary and sufficient elastic stability conditions in various crystal systems

Linear optical properties of solids within the full-potential linearized augmented planewave method

BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients

A fast and robust algorithm for Bader decomposition of charge density

On the stability of crystal lattices. I

Phonons and related crystal properties from density-functional perturbation theory

Advanced capabilities for materials modelling with Quantum ESPRESSO

Berechnung der Fließgrenze von Mischkristallen auf Grund der Plastizitätsbedingung für Einkristalle .

Deformation Potentials in Silicon. I. Uniaxial Strain

Density-functional theory and NiO photoemission spectra

Heat flow and lattice vibrations in glasses

Lehrbuch der Kristallphysik

Lattice dynamics and elastic properties of Mg3As2 and Mg3Sb2 compounds from first-principles calculations

Electronic, magnetic, vibrational, and X-ray spectroscopy of inverse full-Heusler Fe<sub>2</sub>IrSi alloy

Electronic, mechanical, optical and piezoelectric properties of glass-like sodium silicate (Na<sub>2</sub>SiO<sub>3</sub>) under compressive pressure

Structural, electronic, mechanical, and thermoelectric properties of <scp>LiTiCoX</scp> (X = Si, Ge) compounds

Q<scp>uantum</scp> ESPRESSO toward the exascale

Pressure effect on the structural and elastic property of Hf2InC

Calculations of the Grüneisen Parameter for Some Models of the Solid