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Physical Review Letters
Volumn 70, Issue 21, 1993, Pages 3295-3298
The (001) surface of a α-Ga is covered with Ga III
Author keywords

[No Author keywords available]
Indexed keywords

EID: 0012479730     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.70.3295     Document Type: Article
Times cited : (22)
References (20)
  • 6
    • 84927492851 scopus 로고    scopus 로고
    • The structure named Ga II in Ref. citegong is more commonly referred to as Ga III in citeBosio. We follow the latter in the present work.
  • 10
    • 84927467264 scopus 로고    scopus 로고
    • O. Züger, Ph.D. thesis, Eidgenössische Technische Hochschule Zürich Hönggerberg (1992); O. Züger and U. Dürig, Ultramicroscopy (to be published).
  • 13
    • 0000720337 scopus 로고
    • Lattice constants and internal structural parameters have been optimized for bulk α Ga, β Ga, Ga II, and Ga III, using Hellmann Feynman forces and stress. High precision Brillouin zone (BZ) integrations [, ] have been performed using up to 300 k, points in the IBZ for the more metallic phases (27 are sufficient for α Ga). The equilibrium energies and volumes per atom of α Ga, β Ga, Ga II, and Ga III are, respectively, -4.5128, -4.5094, -4.5087, -4.5076 Ry and 119, 111, 109, 109 a.u. Details of the bulk calculations will be reported elsewhere citebulk. Previous work on bulk structure citegong, although properly reproducing the electronic properties of α Ga did not correctly predict the hierarchy of the other phases due to poor BZ integration accuracy.
    • (1989) Phys. Rev. B , vol.40 , pp. 3616
    • Methfessel, M.1    Paxton, A.T.2
  • 14
    • 84927464252 scopus 로고    scopus 로고
    • Despite the stiffness of the covalent bond, the change in atomic coordination (surface B is obtained by breaking only one stiff covalent bond, while four metallic ``bonds'' are broken in surface A) makes the unrelaxed surface A higher in energy than unrelaxed surface B.
  • 16
    • 84927485559 scopus 로고    scopus 로고
    • From linear extrapolation of the results in Ref. citeBosio.
  • 19
    • 84927499271 scopus 로고    scopus 로고
    • Numerical Data and Functional Relationships in Science and Technology, Landolt Börnstein, New Series III/13a (Springer Verlag, Berlin, 1981), p. 59.

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.