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Volumn 70, Issue 8, 2004, Pages

Orbital ordering, Jahn-Teller distortion, and resonant x-ray scattering in KCuF3

Author keywords

[No Author keywords available]

Indexed keywords

COPPER; FLUORINE; PEROVSKITE; POTASSIUM;

EID: 19544393350     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.085117     Document Type: Article
Times cited : (62)

References (44)
  • 11
    • 84890742369 scopus 로고    scopus 로고
    • private communication
    • S. B. Wilkins, P. D. Spencer, P. D. Hatton, S. P. Collins, M. D. Roper, D. Prabhakaran, and A. T. Boothroys, Phys. Rev. Lett. 91, 167205 (2003); S. B. Wilkins (private communication).
    • Wilkins, S.B.1
  • 13
    • 5544272367 scopus 로고    scopus 로고
    • K. J. Thomas, J. P. Hill, Y. J. Kim, S. Grenier, P. Abbamonte, L. Venema, A. Rusydi, Y. Tomioka, Y. Tokura, D. F. McMorrow, and M. van Veenendaal, cond-mat/0311553
    • K. J. Thomas, J. P. Hill, Y. J. Kim, S. Grenier, P. Abbamonte, L. Venema, A. Rusydi, Y. Tomioka, Y. Tokura, D. F. McMorrow, and M. van Veenendaal, cond-mat/0311553.
  • 25
    • 5544311817 scopus 로고    scopus 로고
    • Ph.D. thesis
    • M. Cococcioni, Ph.D. thesis, SISSA, 2002, http://www.sissa.it/cm/phd.php; M. Cococcioni and S. de Gironcoli, cond-mat/0405160.
    • (2002)
    • Cococcioni, M.1
  • 26
    • 5544320007 scopus 로고    scopus 로고
    • M. Cococcioni and S. de Gironcoli, cond-mat/0405160
    • M. Cococcioni, Ph.D. thesis, SISSA, 2002, http://www.sissa.it/cm/phd.php; M. Cococcioni and S. de Gironcoli, cond-mat/0405160.
  • 28
    • 85088493119 scopus 로고    scopus 로고
    • note
    • 1,σ(r) and used to perform the projection. We note that with the ultrasoft-pseudopotential scheme, the projection includes also the augmentation pseudo-charge density (see Ref. 24).
  • 39
    • 85088492152 scopus 로고    scopus 로고
    • note
    • k,i(r), where rmax=0.5 a.u. Changing rmax to 1 a.u. or. 0.2 a.u. leaves the projected DOS unchanged (except for a constant scaling factor).
  • 40
    • 85088491599 scopus 로고    scopus 로고
    • note
    • 1 excitation energy is presently beyond the reach of state-of-the-art ab initio all-electron LDA computations (see, e.g., Ref. 18).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.