Ferromagnetic Half-Metal Cyanamides Cr(NCN)(2) Predicted from First Principles Investigation

Wang, ZL; Qu, SJ; Xiang, HP; He, ZZ; Shen, J

Xiang, HP (corresponding author), Tongji Univ, Sch Mat Sci & Engn, 4800 Caoan Rd, Shanghai 201804, Peoples R China.; He, ZZ (corresponding author), Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Peoples R China.

MATERIALS, 2020; 13 (8):

Abstract

The stability, physical properties, and electronic structures of Cr(NCN)(2) were studied using density functional theory with explicit electronic corr......

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