Citation Impact
Citing Papers
Calculation of the lattice constant of solids with semilocal functionals
2009
Ferromagnetism above room temperature in bulk and transparent thin films of Mn-doped ZnO
2003 Standout
Ab‐initiosimulations of materials using VASP: Density‐functional theory and beyond
2008 Standout
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
2008 Standout
Spintronics: A Challenge for Materials Science and Solid‐State Chemistry
2007 Standout
Anharmonic Thermal Oscillations of the Electron Momentum Distribution in Lithium Fluoride
2015
Mn Interstitial Diffusion in( G a , M n ) A s
2004
Experimental realization of two-dimensional boron sheets
2016 Standout
Donor impurity band exchange in dilute ferromagnetic oxides
2005 Standout
Electronic structure calculations with dynamical mean-field theory
2006 Standout
A critical review of high entropy alloys and related concepts
2016 Standout
Quantum‐mechanical condensed matter simulations with CRYSTAL
2018 Standout
LOBSTER: A tool to extract chemical bonding from plane‐wave based DFT
2016 Standout
Strong pressure-dependent electron-phonon coupling in FeSe
2014
Blue Luminescence of ZnO Nanoparticles Based on Non‐Equilibrium Processes: Defect Origins and Emission Controls
2010 Standout
Ultrafast optical manipulation of magnetic order
2010 Standout
Van der Waals density functionals applied to solids
2011 Standout
Titanium nitride films for ultrasensitive microresonator detectors
2010
A comprehensive review of ZnO materials and devices
2005 Standout
On combining temperature and pressure effects on structural properties of crystals with standard ab initio techniques
2014
Electron-phonon interactions from first principles
2017 Standout
Theoretical Study of the Structural Evolution of a Na2FeMn(CN)6 Cathode upon Na Intercalation
2015 StandoutNobel
Theory of ferromagnetic (III,Mn)V semiconductors
2006
Performance on molecules, surfaces, and solids of the Wu-Cohen GGA exchange-correlation energy functional
2007
Microstructure, thermophysical and electrical properties in AlxCoCrFeNi (0≤x≤2) high-entropy alloys
2009
Pressure-induced incompressibility of ReC and effect of metallic bonding on its hardness
2008
Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure
2007
Ferromagnetic materials in the zinc-blende structure
2003
Chemical profile and magnetoresistance ofGa 1 − x Mn x As Ga 1 − x Mn x As
2005 StandoutNobel
WIEN2k: An APW+lo program for calculating the properties of solids
2020 Standout
Electronic structure, exchange interactions, and Curie temperature in diluted III-V magnetic semiconductors: (GaCr)As, (GaMn)As, (GaFe)As
2003
On how differently the quasi-harmonic approximation works for two isostructural crystals: Thermal properties of periclase and lime
2015
β-Rhombohedral Boron: At the Crossroads of the Chemistry of Boron and the Physics of Frustration
2013
Quantized Anomalous Hall Effect in Magnetic Topological Insulators
2010 StandoutScience
Evaluation of thermodynamic equations of state across chemistry and structure in the materials project
2018
Maximally localized Wannier functions: Theory and applications
2012 Standout
Planar superconducting whispering gallery mode resonators
2013 StandoutNobel
First-principles study of elastic properties of Cr- and Fe-rich Fe-Cr alloys
2011
First-principles study of superconductivity and Fermi-surface nesting in ultrahard transition metal carbides
2008
Structural and elastic anisotropy of crystals at high pressures and temperatures from quantum mechanical methods: The case of Mg2SiO4 forsterite
2015
Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs
2015 StandoutScience
Half-metallic ferromagnets: From band structure to many-body effects
2008 Standout
Anomalous Hall effect
2010 Standout
First-principles theory of dilute magnetic semiconductors
2010
A new orthorhombic boron phase B51.5–52 obtained by dehydrogenation of “α-tetragonal boron”
2016 StandoutNobel
Ab initiostudy of AlN: Anisotropic thermal expansion, phase diagram, and high-temperature rocksalt to wurtzite phase transition
2014
Intermolecular anharmonicity in molecular crystals: interplay between experimental low-frequency dynamics and quantum quasi-harmonic simulations of solid purine
2017
Photoemission studies ofGa 1 − x Mn x As :
2002
VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code
2021 Standout
Configurational order-disorder induced metal-nonmetal transition inB 13 C 2
2015
Structural predictions for Correlated Electron Materials Using the Functional Dynamical Mean Field Theory Approach
2018
Improving the quality factor of microwave compact resonators by optimizing their geometrical parameters
2012 StandoutNobel
Microstructures and properties of high-entropy alloys
2013 Standout
AELAS: Automatic ELAStic property derivations via high-throughput first-principles computation
2017
Effect of low-temperature annealing on (Ga,Mn)As trilayer structures
2003
Modeling hardness of polycrystalline materials and bulk metallic glasses
2011 Standout
Ab initiodescription of the diluted magnetic semiconductorGa 1 − x Mn x As :
2003
Density functional perturbation theory for lattice dynamics with fully relativistic ultrasoft pseudopotentials: Application to fcc-Pt and fcc-Au
2007
Works of É. I. Isaev being referenced
Defect-Induced Magnetic Structure in( Ga 1 − x Mn x ) As
2002
Lattice Dynamics and Superconductivity in Cerium at High Pressure
2012
Does the Wiedemann–Franz law work for quasicrystals?
2005
Site preference and effect of alloying on elastic properties of ternaryB
2012
Stability of the body-centered-tetragonal phase of Fe at high pressure: Ground-state energies, phonon spectra, and molecular dynamics simulations
2006
Anomalously enhanced superconductivity andab initiolattice dynamics in transition metal carbides and nitrides
2005
Impact of lattice vibrations on equation of state of the hardest boron phase
2011
Ab initio calculations of elastic properties of Pt–Sc alloys
2008
Phonon related properties of transition metals, their carbides, and nitrides: A first-principles study
2007
Density-Functional Perturbation Theory for Quasi-Harmonic Calculations
2010