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Volumn 119, Issue 10, 1997, Pages 2505-2515

Oligomerization versus polymerization of Te(x)(n-) in the polytelluride compound BaBiTe3. Structural characterization, electronic structure, and thermoelectric properties

Author keywords

[No Author keywords available]

Indexed keywords

TELLURIUM DERIVATIVE;

EID: 0030973884     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9636496     Document Type: Article
Times cited : (61)

References (67)
  • 40
    • 0001647167 scopus 로고
    • Sheldrick, G. M., Kruger, C., Doddard, R., Eds.; Oxford University Press: Oxford, England
    • Sheldrick, G. M. Cristallographic Computing 3; Sheldrick, G. M., Kruger, C., Doddard, R., Eds.; Oxford University Press: Oxford, England, 1985; pp 175-189.
    • (1985) Cristallographic Computing 3 , pp. 175-189
    • Sheldrick, G.M.1
  • 41
    • 1842408235 scopus 로고
    • w = 5.61%. These results were found more satisfactory because they leave the atomic positional parameters unchanged while maintaining a fair number of data/number of variable ratio. Most likely, the high residues stem from absorption problems (Ba, Bi, and Te are heavily absorbing elements). Low-temperature data collection would not help much in this case
    • w = 5.61%. These results were found more satisfactory because they leave the atomic positional parameters unchanged while maintaining a fair number of data/number of variable ratio. Most likely, the high residues stem from absorption problems (Ba, Bi, and Te are heavily absorbing elements). Low-temperature data collection would not help much in this case.
    • (1994) SDS 94
    • Petricek, V.1
  • 59
    • 0043061507 scopus 로고
    • Rowe, D. M., Eds.; CRC Press, Inc.: Boca Raton, FL
    • Buist, R. J. CRC Handhook of Thermoelectrics; Rowe, D. M., Eds.; CRC Press, Inc.: Boca Raton, FL, 1995; p 143.
    • (1995) CRC Handhook of Thermoelectrics , pp. 143
    • Buist, R.J.1
  • 62
    • 30244571056 scopus 로고
    • (a) Exchange and correlation were treated in the local spin density approximation. All the relativistic effects except spin-orbit coupling were taken into account using the scalar relativistic approximation. Since the structure of the present compound is not closely packed, special care was taken in filling the interatomic spaces with interstitial spheres (ES). Optimal positions and radii of those empty spheres were determined by the automatic procedure described in ref 48b. The k-space integration was performed with the tetrahedron method and the charge self-consistency was obtained with 801 irreducible k-points. (b) Jepsen O.; Andersen O. K. Z. Phys. B 1995, 97, 35-47.
    • (1995) Z. Phys. B , vol.97 , pp. 35-47
    • Jepsen, O.1    Andersen, O.K.2
  • 64
    • 0347240027 scopus 로고
    • MIT Press: Cambridge, MA; Pergamon Press: Oxford
    • (b) Encyclopedia of Materials Science and Engineering, Thermoelectric Semiconductors; MIT Press: Cambridge, MA; Pergamon Press: Oxford, 1986; p 4968.
    • (1986) Thermoelectric Semiconductors , pp. 4968


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.