First-Principles Study of Structural and Magnetic Properties for Ultrathin Cr Films on W(100) and W(110)
WEI Xin, JIANG Ping, CHE Jing-Guang
Surface Physics Laboratory, Department of Physics, Fudan University, Shanghai 200433
First-Principles Study of Structural and Magnetic Properties for Ultrathin Cr Films on W(100) and W(110)
WEI Xin;JIANG Ping;CHE Jing-Guang
Surface Physics Laboratory, Department of Physics, Fudan University, Shanghai 200433
关键词 ：
75.70.Ak ,
75.70.Rf ,
31.15.Ew
Abstract ： The stability, atomic structural and magnetic properties of ultrathin Cr films on W(100) and W(110) substrates are studied by using ab-initio total energy calculations. It is demonstrated that the overlayer structures of monolayer (ML) Cr on W(100) or W(110) substrates are stable against the interdiffusion. Large top-layer downward relaxations are found for both the systems. The relationship between relaxation and magnetic configuration is also analysed. The magnetic ground state is found to be p(1×1) ferromagnetic and c(2×2) antiferromagnetic with enhanced magnetic moments of 2.47μB and 2.55vB for 1ML Cr on W(100) and W(110) substrates, respectively.
Key words ：
75.70.Ak
75.70.Rf
31.15.Ew
出版日期: 2005-05-01
引用本文:
WEI Xin;JIANG Ping;CHE Jing-Guang. First-Principles Study of Structural and Magnetic Properties for Ultrathin Cr Films on W(100) and W(110)[J]. 中国物理快报, 2005, 22(5): 1232-1235.
链接本文:
https://cpl.iphy.ac.cn/CN/
或
https://cpl.iphy.ac.cn/CN/Y2005/V22/I5/1232
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