Investigating the structural, mechanical, optical and magnetic attributes of LaFe(1−x)CrxO3 ferromagnetic materials by using DFT

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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WIEN2k: An APW+lo program for calculating the properties of solids

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Lower limit to the thermal conductivity of disordered crystals

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A technique for relativistic spin-polarised calculations

D. D. Koelling, B. N. Harmon · Journal of Physics C Solid State Physics · 1977 · 2.4K citations

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