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First-principles calculations for formation energy and magnetism of defect structures in Heusler alloys Mg-V-Z (Z = Al, Ga, In)

Changshuang Jiang, Wenyi Peng, Zhi‐Jin Liu, Xiaohua Deng

2020Physica B Condensed Matter13 citationsDOI

Topics & Concepts

MagnetismStoichiometryMagnetic momentAtom (system on chip)Antiparallel (mathematics)CrystallographyMaterials scienceCondensed matter physicsDensity functional theoryChemistryComputational chemistryPhysicsMagnetic fieldPhysical chemistryQuantum mechanicsEmbedded systemComputer scienceHeusler alloys: electronic and magnetic propertiesIntermetallics and Advanced Alloy PropertiesMetallurgical and Alloy Processes
First-principles calculations for formation energy and magnetism of defect structures in Heusler alloys Mg-V-Z (Z = Al, Ga, In) | Litcius