Physics – Condensed Matter – Materials Science
Scientific paper
2005-07-29
Materials Science and Engineering: B Volume 126, Issues 2-3, 25 January 2006, Pages 217-221 EMRS 2005, Symposium B, Spintronic
Physics
Condensed Matter
Materials Science
20 pages, 5 figures, to be published in Materials Science and Engineering B
Scientific paper
We have investigated STM images of the (110) cross-sectional surface of Mn-doped GaAs using first principles total-energy pseudopotential calculations. We focus on configurations with Mn interstitial in the uppermost surface layers. In particular, we have found that Mn impurities, surrounded by Ga or As atoms, introduce in both cases strong local distortions in the GaAs(110) surface, with bond length variations up to 8 % on surface and non-negligible relaxations effects propagating up to the third sub-surface layer. In both cases interstitial Mn induces a spin-polarization on its nearest neighbors, giving rise to a ferromagnetic Mn-As and to antiferromagnetic Mn-Ga configuration.
Peressi Maria
Stroppa Alessandro
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