메뉴 건너뛰기




Volumn 58, Issue 3, 1998, Pages 1499-1505

Ab initio calculation of binding and diffusion of a Ga adatom on the surface

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000631643     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.58.1499     Document Type: Article
Times cited : (34)

References (34)
  • 3
    • 84884095844 scopus 로고
    • For shorter introductions to the topic, see D.D. Vvedensky, T. Shitara, P. Smilauer, T. Kaneko, and A. Zangwill, in Common Themes and Mechanisms of Epitaxial Growth, MRS Symposia Proceedings No. 312 (Materials Research Society, Pittsburgh, 1988), p. 3.;
    • A number of reviews on this method have been written. See A. Madhukar and S.V. Ghaisis, CRC Crit. Rev. Solid State Mater. Sci. 14, 1 (1988). For shorter introductions to the topic, see D.D. Vvedensky, T. Shitara, P. Smilauer, T. Kaneko, and A. Zangwill, in Common Themes and Mechanisms of Epitaxial Growth, MRS Symposia Proceedings No. 312 (Materials Research Society, Pittsburgh, 1988), p. 3.;
    • (1988) CRC Crit. Rev. Solid State Mater. Sci. , vol.14 , pp. 1
    • Madhukar, A.1    Ghaisis, S.2
  • 9
    • 0000742769 scopus 로고
    • G. Brocks, P.J. Kelly, and R. Car, Phys. Rev. Lett. 66, 1729 (1991) [ab initio pseudopotential Car-Parrinello calculation of Si adatom energy surface on Si(100)];
    • (1991) Phys. Rev. Lett. , vol.66 , pp. 1729
    • Brocks, G.1    Kelly, P.2    Car, R.3
  • 10
    • 36449004359 scopus 로고
    • Kenji Shiraishi, Appl. Phys. Lett. 60, 1363 (1992) [pseudopotential calculation of Ga adatom energy surface ((Formula presented) potential for the electron exchange-correlation potential)];
    • (1992) Appl. Phys. Lett. , vol.60 , pp. 1363
  • 11
    • 0029308692 scopus 로고
    • A. Palma et. al J. Cryst. Growth 150, 180 (1995) [a parametrized Lifson-Warshel valence-force field calculation of Ga adatom on GaAs(001)].
    • (1995) J. Cryst. Growth , vol.150 , pp. 180
    • Palma, A.1
  • 26
    • 0001585664 scopus 로고    scopus 로고
    • Using a plane-wave cutoff of 30 Ry and a Brillouin zone integration scheme involving a regular grid of 64 (Formula presented) points in the complete Brillouin zone of the usual 2 atom fcc unit cell, the PAW method yielded a lattice constant for bulk GaAs of 5.61 Å, just 0.7% less than the experimental lattice constant and compares well with other calculations [see M. Alouani and J. M. Wills, Phys. Rev. B 54, 2480 (1996) and references therein;
    • (1996) Phys. Rev. B , vol.54 , pp. 2480
    • Alouani, M.1    Wills, J.2
  • 28
    • 0000139382 scopus 로고
    • terms of reduced coordinates (the raw coordinates divided by the lattice constants used in the respective calculations) our coordinates deviated from those of Froyen by 0.6% on average. The maximum deviation is 2.4
    • More detail of Froyen’s calculation can be found in J.E. Bernard, S. Froyen, and A. Zunger, Phys. Rev. B 44, 11 178 (1991). In terms of reduced coordinates (the raw coordinates divided by the lattice constants used in the respective calculations) our coordinates deviated from those of Froyen by 0.6% on average. The maximum deviation is 2.4%.
    • (1991) Phys. Rev. B , vol.44 , pp. 11178
    • Bernard, J.1    Froyen, S.2    Zunger, A.3
  • 34
    • 0000999362 scopus 로고
    • We have used Clarke and Vvedensky’s harmonic oscillator approximation for (Formula presented), see S. Clarke and D.D. Vvedensky, Phys. Rev. Lett. 58, 2235 (1987).
    • (1987) Phys. Rev. Lett. , vol.58 , pp. 2235
    • Clarke, S.1    Vvedensky, D.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.