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Volumn 10, Issue 6, 1998, Pages 1175-1198

Density functional calculations for zintl systems: Structure, electronic structure and electrical conductivity of liquid NaSn alloys

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Indexed keywords


EID: 0001973251     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/10/6/002     Document Type: Article
Times cited : (32)

References (62)
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    • (1933) Z. Phys. Chem. B , vol.20 , pp. 245
    • Zintl, E.1    Brauer, G.2
  • 2
    • 0000697758 scopus 로고
    • Zintl E and Brauer G 1933 Z. Phys. Chem. B 20 245 Zintl E and Woltersdorf G 1935 Z. Elektrochem. 41 876 Zintl E 1939 Angew. Chem. 52 1
    • (1935) Z. Elektrochem. , vol.41 , pp. 876
    • Zintl, E.1    Woltersdorf, G.2
  • 3
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    • Zintl E and Brauer G 1933 Z. Phys. Chem. B 20 245 Zintl E and Woltersdorf G 1935 Z. Elektrochem. 41 876 Zintl E 1939 Angew. Chem. 52 1
    • (1939) Angew. Chem. , vol.52 , pp. 1
    • Zintl, E.1
  • 20
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    • Thesis Groningen University
    • Alblas B P 1983 Thesis Groningen University Alblas B P, van der Lugt W, Dijkstra J, Geertsma W and van Dijk W 1983 J. Phys. F: Met. Phys. 13 2465
    • (1983)
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    • Müller W and Volk K 1977 Z. Naturf. b 32 709 Müller W and Volk K 1978 Z. Naturf. b 33 275
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    • Müller, W.1    Volk, K.2
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    • Müller W and Volk K 1977 Z. Naturf. b 32 709 Müller W and Volk K 1978 Z. Naturf. b 33 275
    • (1978) Z. Naturf. B , vol.33 , pp. 275
    • Müller, W.1    Volk, K.2
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    • and references therein
    • Boerrigter P M, te Velde G and Baerends E J 1988 Int. J. Quantum Chem. 33 87 te Velde G and Baerends E J 1992 J. Comput. Phys. 99 84 and references therein
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    • Te Velde, G.1    Baerends, E.J.2
  • 46
    • 11644295449 scopus 로고    scopus 로고
    • note
    • The Slater-Koster tables and the data for the repulsive potentials for the atomic combinations Na-Na, Na-Sn and Sn-Sn are available upon request from the authors.
  • 54
    • 11644313879 scopus 로고    scopus 로고
    • note
    • To get an impression of the structures in the liquid and on how these structures change, we produced a video of the MD-simulated trajectories. The video is available on request from the authors.
  • 61
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    • note
    • α; α = x, y, or z). Comparing these three contributions, we found that the individual results agree within the statistical noise. This isotropy may be viewed as a further indication of the fluidity of the system. However, the average over the directions α further reduces the statistical error.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.