Structures, electronic and magnetic properties of the MnnS and Mnn−1S2 (n = 1–6) clusters

作者: Zhi Li , Zhen Zhao , Qi Wang , Tong-Tong Shi

DOI: 10.1142/S0217979219502540

关键词: SulfideElectronic propertiesChemical physicsDensity functional theoryMaterials science

摘要: To understand sulfide inclusions in the steel industry, structures, stabilities, electronic and magnetic properties of MnnS Mnn−1S2 (n=1–6) clusters are investigated by using first-prin...

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