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

Author

Listed:
  • 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)

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.

Suggested Citation

  • V. G. Zavodinsky & E. N. Chukurov & I. A. Kuyanov, 2009. "FIRST PRINCIPLES STUDY OF BORON SEGREGATION ON THE${\rm Si}(111)(\sqrt{3} \times \sqrt{3}){\rm R}30^{\circ}$SURFACE," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 16(02), pages 167-170.
    • Handle: RePEc:wsi:srlxxx:v:16:y:2009:i:02:n:s0218625x09012470
    DOI: 10.1142/S0218625X09012470
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