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Volumn 69, Issue 21, 2004, Pages

Phosphorus under pressure: Ba-IV-type structure as a candidate for P-IV

Author keywords

[No Author keywords available]

Indexed keywords

BARIUM; PHOSPHORUS;

EID: 45849154853     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.69.214112     Document Type: Article
Times cited : (20)

References (43)
  • 13
    • 33646654810 scopus 로고    scopus 로고
    • note
    • This octagon is equilateral when x=(2-√2)/4∼0.1464.
  • 36
    • 33646656935 scopus 로고    scopus 로고
    • note
    • This parameter is quite insensitive to changes in the pressure for the two P Ba-IV-type structures.
  • 37
    • 33646651368 scopus 로고    scopus 로고
    • note
    • At each selected relative position of the substructures, the remaining positional parameters have been kept at their values in the corresponding well-ordered arrangements.
  • 38
    • 33646665002 scopus 로고    scopus 로고
    • note
    • M/12 and symmetric for the system in question. The chosen tolerance to the convergence of the energies in these calculations has been very low, ∼1 μRy/atom, in order to make the barrier visible.
  • 41
    • 33646668806 scopus 로고    scopus 로고
    • private communication
    • j-1, j=4→6}, respectively [U. Häussermann (private communication)].
    • Häussermann, U.1
  • 42
    • 33646666329 scopus 로고    scopus 로고
    • private communication
    • For Sb-II, where the guest structure is bct, no single-crystal samples have yet been obtained, and thus it remains an open question whether diffuse scattering will be observed in this case [M. I. McMahon (private communication)].
    • McMahon, M.I.1
  • 43
    • 33646656228 scopus 로고    scopus 로고
    • note
    • In fact, recent theoretical studies (Refs. 12 and 39) of the cohesion in the Ba-IV-type structures observed in group Vb elements suggest that the bonds between the atoms in these structures are markedly different from those in Ba-IV and Sr-V. In Bi-III, Sb-II, and As-III, only strictly NN atoms in host tubes make strong bonds, whereas the situation must be different in Ba-IV and Sr-V, where next NN atoms in the nonmodulated host structure are only slightly (within 2%) further apart.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.