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Volumn 50, Issue 15, 1994, Pages 11235-11238

Skutterudite antimonides: Quasilinear bands and unusual transport

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EID: 0000102665     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.50.11235     Document Type: Article
Times cited : (293)

References (15)
  • 4
    • 84927463051 scopus 로고    scopus 로고
    • Note that there are three anions for each cation and that with the exception of CoSbsub 3, where the mass ratio is 0.79, the anion is by far the lighter component. Thus the thermal conductivities may not be strongly affected by these substitutions on the cation site, whereas substituting lighter anions (e.g., As) may give higher and less favorable values of kappa.
  • 12
    • 84927489921 scopus 로고    scopus 로고
    • LAPW sphere radii of 2.2 a.u. were used for all elements except Ir, for which a radius of 2.35 a.u. was used. Basis sets consisting of approximately 3000 functions were used for IrSbsub 3 and CoSbsub 3, while approximately 2200 functions were used for CoAssub 3, which has a considerably smaller cell volume than the antimonides. Local orbitals were used to relax any errors due to linearization of the Ir 5d bands and to include the Sb 4d states in the valence window. The zone sampling was carried out with eight special points in the irreducible wedge of the bcc zone. Note that the unit cell contains 16 atoms.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.