Vacuum · 2022 · 18 citations · 51 references
Natural SciencesMaterials SciencePhysicsMaterials PhysicsMechanical Behavior Of MaterialsOptical MaterialsDefect CharacterizationDefect ModelingDefectsOptical Properties Of SolidsThermal DiffusivityThermal Properties Of MaterialsAluminum NitrideDefect Energetics In CrystalsDefect PhysicsLattice Thermal ConductivityOptical PropertiesPhonon Thermal ConductivityPoint DefectsThermal Conductivity
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
First principles methods using CASTEP
Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text
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First-principles simulation: ideas, illustrations and the CASTEP code
Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text