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Volumn 70, Issue 19, 2004, Pages 1-11

Stability and electronic structure of the complex K2PtCl 6-structure hydrides DMH6 (D=Mg, Ca, Sr; M=Fe, Ru, Os)

Author keywords

[No Author keywords available]

Indexed keywords

BERYLLIUM; CALCIUM; CHLORIDE; IRON; LEAD; MAGNESIUM; OSMIUM; PLATINUM; POTASSIUM; RUTHENIUM; STRONTIUM;

EID: 12344270819     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.195117     Document Type: Article
Times cited : (40)

References (49)
  • 5
    • 0001721498 scopus 로고    scopus 로고
    • K. Yvon, Chimia 52, 613 (1998).
    • (1998) Chimia , vol.52 , pp. 613
    • Yvon, K.1
  • 16
    • 12344334029 scopus 로고    scopus 로고
    • note
    • 0 sphere.
  • 18
    • 12344254383 scopus 로고    scopus 로고
    • note
    • 8 manifold. However, this is not compatible with the electron count of Fe and Mg.
  • 23
    • 0018067807 scopus 로고
    • edited by G. Alefeld and J. Volkl Springer, Berlin
    • E. Wicke and H. Brodowsky, in Hydrogen in Metals II, edited by G. Alefeld and J. Volkl (Springer, Berlin, 1978), pp. 73-155.
    • (1978) Hydrogen in Metals II , pp. 73-155
    • Wicke, E.1    Brodowsky, H.2
  • 33
    • 33747004429 scopus 로고
    • 2; D. J. Singh, W. E. Pickett, and H. Krakauer, Phys. Rev. B 43, 11628 (1991). The good agreement with experiment for the formation energy of FeAl (which is on the borderline of magnetism) from ferromagnetic Fe and Al supports the conclusion that the error due to the LDA treatment of the magnetic energy of Fe is small.
    • (1991) Phys. Rev. B , vol.43 , pp. 11628
    • Singh, D.J.1    Pickett, W.E.2    Krakauer, H.3
  • 36
    • 12344306802 scopus 로고    scopus 로고
    • note
    • 6.
  • 39
    • 12344315445 scopus 로고    scopus 로고
    • note
    • The trend with A-site cation is not surprising in an ionic picture. One can think of the formation energy in stages: first the formation of ions by atomization and ionization of the elements, and then formation of a lattice from the ions. The latter would favor smaller lattice parameters via the 1/r scaling of the Ewald energy (which is opposite to the calculated trends in the energies), but this is overcome by the large ionization and atomization energies. The sums of the experimental atomization, and first and second ionization energies for Be, Mg, Ca, and Sr are 2982, 2336, 1913, and 1778 kJ/mol, respectively; NIST.
  • 48
    • 0000226258 scopus 로고
    • G. A. Samara and A. A. Giardini, Phys. Rev. A140, 954 (1965); G. A. Samara, Phys. Rev. B 1, 3777 (1970).
    • (1970) Phys. Rev. B , vol.1 , pp. 3777
    • Samara, G.A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.