作者: Zhi Li , Zhen Zhao , Qi Wang , Tong-Tong Shi
DOI: 10.1142/S0217979219502540
关键词: Sulfide 、 Electronic properties 、 Chemical physics 、 Density functional theory 、 Materials 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...