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First-principles calculations to investigate electronic structures and magnetic regulation of non-metallic elements doped BP with point defects

Junqing Wen, Ning Li, Qiulong Shi, Hua Wu, Xia Feng, Chun Wang, Jian‐Min Zhang

2022Journal of Molecular Graphics and Modelling22 citationsDOI

Topics & Concepts

MagnetismCondensed matter physicsDopingFerromagnetismMagnetic momentMaterials scienceMagnetic semiconductorSpin polarizationDensity functional theorySpintronicsHalf-metalVacancy defectMonolayerElectronic structureBand gapPhosphoreneChemistryNanotechnologyComputational chemistryPhysicsElectronQuantum mechanics2D Materials and ApplicationsMXene and MAX Phase MaterialsPerovskite Materials and Applications
First-principles calculations to investigate electronic structures and magnetic regulation of non-metallic elements doped BP with point defects | Litcius