Theoretical characterization on intrinsic ferrimagnetic phase in nanoscale laminated Cr₂GeC

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• 作者：N. Li ; C.C. Dharmawardhana ; K.L. Yao ; W.Y. Ching
• 关键词：A. MAX phase ; C. Structure property ; D. Electronic structure
• 刊名：Solid State Communications
• 出版年：November, 2013
• 年：2013
• 卷：174
• 期：Complete
• 页码：43-45
• 全文大小：1101 K

文摘

The structural, electronic and magnetic properties of the hexagonal nanolaminated layered MAX phases compound Cr₂GeC are investigated using the full-potential linearized augmented-plane-waves (FPLAPW) method within the generalized gradient approximation (GGA) and GGA+U calculations. The results indicate Cr₂GeC has a sizable moment of 1.667 渭_B revealing the existence of a ferrimagnetic ground state in a MAX phase compound. This surprising new result will lead to the possibility of applying the layered magnetic MAX phase compounds in electronics and spintronics areas.