Concepedia
Journal of Alloys and Compounds · 2012 · 20 citations · 40 references
Natural SciencesMaterials SciencePhysicsCrystal StructurePhase TransformationsSolid State PhysicsCrystal ChemistryMagnetic Properties Of SolidsPhase ChangePhase DiagramsPhase TransitionsStrongly Correlated Electron SystemsAb Initio Phase StabilityMott TransitionSubstitutions
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations
Natural Sciences, Chemistry, Materials Science +14
Special points for Brillouin-zone integrations
Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations
Natural Sciences, Physics, Computational Electromagnetics +6
<i>EXPGUI</i>, a graphical user interface for<i>GSAS</i>
Brian H. Toby · Journal of Applied Crystallography · 2001 · 9.2K citations
Computing, Computer Science, Programming Languages +3
Cohesion in alloys — fundamentals of a semi-empirical model
A.R. Miedema, P.F. de Châtel, F.R. de Boer · Physica B+C · 1980 · 1.2K citations
Natural Sciences, Materials Engineering, Materials Science +13
Model predictions for the enthalpy of formation of transition metal alloys
A.R. Miedema, F.R. de Boer, R. Boom · Calphad · 1977 · 1.2K citations
Natural Sciences, Materials Engineering, Materials Science +14