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Phys. Rev. B 69, 121308(R) (2004) [4 pages]

Spin driving reconstructions on the GaAs(001):Mn surface

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S. B. Zhang
National Renewable Energy Laboratory, Golden, Colorado 80401, USA

Lixin Zhang, Lifang Xu, E. G. Wang, Xi Liu, Jin-Feng Jia, and Qi-Kun Xue
State Key Laboratory for Surface Physics and International Center of Quantum Structure, Institute of Physics, Chinese Academy of Sciences, Beijing 100080, China

Received 13 February 2004; published 25 March 2004

The scanning tunneling microscopy (STM) experiment reveals a 2×2 surface reconstruction on GaAs(001):Mn. A comprehensive theory for spin-driven reconstructions is developed by the first-principles methods: Mn incorporation results in two structural motifs to accommodate the spin degree of freedom. Low-energy reconstructions are generally antiferromagnetic to preserve the semiconducting band gaps. The gaps, however, decrease with increasing Mn coverage, leading to metallic surfaces. At one-monolayer coverage, the transition is complete. The calculated STM images agree with experiment.

© 2004 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.69.121308
DOI:
10.1103/PhysRevB.69.121308
PACS:
68.35.-p, 61.72.Vv, 68.43.-h, 75.70.-i
 
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