Theoretical Study of Ga Adsorbates around Dangling-Bond Wires on an H-Terminated Si Surface: Possibility of Atomic-Scale Ferromagnets
- 1 July 1997
- journal article
- Published by IOP Publishing in Japanese Journal of Applied Physics
- Vol. 36 (7B), L929
- https://doi.org/10.1143/jjap.36.l929
Abstract
By using first-principles calculations within the local density functional approach, we have examined the behavior of Ga adsorbates around a dangling-bond wire, which is constructed by extracting H atoms from the H-terminated Si(100)2×1 surface. In addition to clarifying the stable atomic arrangements and the electronic structures of the Ga adsorbates, we found strong evidence of a possible ferromagnetic ground state of the Ga adsorbate wire in specific atomic arrangements. Appearance of the ferromagnetic ground state has been supported by a preliminary calculation of magnetic moments using a simple tight-binding model and the mean-field approximation. The result of this investigation is expected to provide a new way to obtain atomic-scale ferromagnets produced from only nonmagnetic elements.Keywords
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