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

Chin. Phys. Lett.

2005, Vol. 22

Issue (5): 1232-1235 DOI:

Original Articles

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

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WEI Xin, JIANG Ping, CHE Jing-Guang 2005 Chin. Phys. Lett. 22 1232-1235

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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.

Keywords: 75.70.Ak 75.70.Rf 31.15.Ew

Published: 01 May 2005

PACS:	75.70.Ak	(Magnetic properties of monolayers and thin films)
	75.70.Rf	(Surface magnetism)
	31.15.Ew

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https://cpl.iphy.ac.cn/ OR https://cpl.iphy.ac.cn/Y2005/V22/I5/01232

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