FIRST PRINCIPLES STUDY OF BORON SEGREGATION ON THE${\rm Si}(111)(\sqrt{3} \times \sqrt{3}){\rm R}30^{\circ}$SURFACE

V. G. Zavodinsky, E. N. Chukurov and I. A. Kuyanov
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V. G. Zavodinsky: Institute for Materials Science, Far Eastern Branch of the Russian Academy of Sciences, 153 Tikhookeanskaya Str., Khabarovsk 680042, Russia
E. N. Chukurov: Institute for Automation and Control Processes, Far Eastern Branch of the Russian Academy of Sciences, 5 Radio Str., Vladivostok 690041, Russia
I. A. Kuyanov: Institute for Automation and Control Processes, Far Eastern Branch of the Russian Academy of Sciences, 5 Radio Str., Vladivostok 690041, Russia

Surface Review and Letters (SRL), 2009, vol. 16, issue 02, 167-170

Abstract: Segregation of boron on${\rm Si}(111)(\sqrt{3} \times \sqrt{3}){\rm R}30^{\circ}$surface has been studied using the periodical calculations within the local density approximation. The obtained segregation energy (enthalpy) of about -1.9 eV is close to the published data of experimental studies and previous cluster semiempirical calculations. The influence of plane-wave basis set cutoff energy and the slab unit cell depth on the value of segregation energy has been investigated.

Keywords: Silicon; boron; surface; ab initio; dopants; segregation (search for similar items in EconPapers)
Date: 2009
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DOI: 10.1142/S0218625X09012470

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