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  • Ribeiro, R.M., et al. (author)
  • Ab initio study of CsI and its surface
  • 2006
  • In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 74:3, s. 35430-1
  • Journal article (peer-reviewed)abstract
    • Cesium iodide properties, both in the bulk and on (110) and (100) surfaces, are studied using density functional theory. The bulk lattice constant, bulk modulus, and elastic constants are in good agreement with the experimental values. The electronic band structure is also calculated, as well as the density of states. On the surfaces, relaxation of the atoms was performed, and the atomic geometry and electronic structure have been studied
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Type of publication
journal article (1)
Type of content
peer-reviewed (1)
Author/Editor
Jones, R. (1)
Briddon, P. R. (1)
Öberg, Sven (1)
Shaw, M.J. (1)
Coutinho, J. (1)
Torres, V.J.B. (1)
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Sque, S. J. (1)
Ribeiro, R.M. (1)
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University
Luleå University of Technology (1)
Language
English (1)
Research subject (UKÄ/SCB)
Natural sciences (1)
Year
2006 (1)

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