具有高居里温度并可从已知材料上剥离的铁磁二维一氯化钪薄片的理论研究
Theoretical investigation on the ferromagnetic two-dimensional scandium monochloride sheet that has a high Curie temperature and could be exfoliated from a known material
摘要：
采用密度泛函理论研究了二维一氯化钪薄片的结构。它可以从已知的块状材料剥离，其裂解能略低于石墨烯的裂解能。该薄片具有铁磁基态，居里温度为100 K。此外，在空穴掺杂下，薄片变成半金属。当掺杂量为0.4个/单胞时，居里温度升高到250 K，接近于冰点。二维的一氯化钪片应该是二维自旋电子学的一个很好的候选者。
英文摘要：
A two-dimensional scandium monochloride sheet was investigated by using density functional theory. It could be exfoliated from a known bulk material with a cleavage energy slightly lower than that of graphene. The sheet has a ferromagnetic ground state with a Curie temperature of 100 K. Moreover, the sheet becomes a half-metal under hole doping. The Curie temperature increases to 250 K with the doping amount of 0.4 per primitive cell, which is close to the ice point. The two-dimensional scandium monochloride sheet should be a good candidate for two-dimensional spintronics.
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