[24p-12K-1~7] 13.2 Exploratory Materials, Physical Properties, Devices

2:30 PM - 2:45 PM JST(5:30 AM - 5:45 AM UTC)

[24p-12K-5] Electronic structure of 3d-transition-metal disilicides

〇Motoharu Imai¹ (1.NIMS)

Keywords:

silicide,first principles calculation,orbital interaction diagram

In this study, the density of states and projected Crystal Orbital Hamilton Population of 3d transition metal disilicides TMSi₂ (TM = Ti, V, Cr, Mn, Fe, Co, Ni, but for Mn, Mn₄Si₇) were calculated. Based on these results, I will discuss the orbital interaction diagram of TMSi₂.