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

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First-Principles Study of Structural and Magnetic Properties for Ultrathin Cr Films on W(100) and W(110)

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@@ 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 2.47 μB and 2.55 μB for 1 ML Cr on W(100) and W(110) substrates, respectively.

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《中国物理快报：英文版》 |2005年第5期|1232-1235|共4页
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WEI Xin; JIANG Ping; CHE Jing-Guang;
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Surface Physics Laboratory, Department of Physics, Fudan University, Shanghai 200433;

Surface Physics Laboratory, Department of Physics, Fudan University, Shanghai 200433;

Surface Physics Laboratory, Department of Physics, Fudan University, Shanghai 200433;

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中图分类物理学;
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First-Principles Study of Structural and Magnetic Properties for Ultrathin Cr Films on W(100) and W(110)

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