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Ish: A Halide‐Based Perovskite CsGeX<sub>3</sub> (X = Cl, Br, and I) for Optoelectronic and Piezoelectric Applications
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof
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Hendrik J. Monkhorst, J.D. Pack
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MaqolaOchiq kirish200618 iqtibosABITheoretical predictions of structure and related properties of intermetallics
Maqola199211 iqtibosABIPhonons and related crystal properties from density-functional perturbation theory
Stefano Baroni, Stefano de Gironcoli, Andrea Dal Corso +1
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Søren Smidstrup, Daniele Stradi, Jess Wellendorff +7
MaqolaOchiq kirish20179 iqtibosABIQuantumATK: an integrated platform of electronic and atomic-scale modelling tools
Søren Smidstrup, Troels Markussen, Pieter Vancraeyveld +19
MaqolaOchiq kirish20199 iqtibosABILattice dynamics, mechanical stability and electronic structure of Fe-based Heusler semiconductors
Shakeel Ahmad Khandy, Ishtihadah Islam, Dinesh C. Gupta +2
MaqolaOchiq kirish20196 iqtibosABIPotential lead-free small band gap halide double perovskites Cs2CuMCl6 (M = Sb, Bi) for green technology
MaqolaOchiq kirish20216 iqtibosABIThe PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table
Michiel J. van Setten, Matteo Giantomassi, Éric Bousquet +4
MaqolaOchiq kirish20185 iqtibosABIDensity Functional Theory Estimate of Halide Perovskite Band Gap: When Spin Orbit Coupling Helps
Tilak Das, Giovanni Di Liberto, Gianfranco Pacchioni
MaqolaOchiq kirish20225 iqtibosABIOptimization algorithm for the generation of ONCV pseudopotentials
MaqolaOchiq kirish20154 iqtibosABI