The origin of the distorted close-packed elemental structure of indium

Angewandte Chemie - International Edition

Volumn 38, Issue 13-14, 1999, Pages 2017-2020

  Häussermann, Ulrich ^a   Simak, Sergei I ^b   Ahuja, Rajeev ^c   Johansson, Börje ^c   Lidin, Sven ^a  

^a STOCKHOLM UNIVERSITY   (Sweden)

^b CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

^c UPPSALA UNIVERSITY   (Sweden)

Author keywords

Ab initio calculations; Aluminum; Bond theory; Elemental structures; Indium

Indexed keywords

INDIUM;

ARTICLE; ATOM; CRYSTAL; CRYSTAL STRUCTURE; ENERGY TRANSFER;

EID: 0040299904     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1521-3773(19990712)38:13/14<2017::AID-ANIE2017>3.0.CO;2-O     Document Type: Article

References (17)

1. J. Donohue, The Structure of the Elements, Wiley, New York, 1974.
2. V. Heine, D. Weaire, Solid State Phys. 1970, 24, 249.
3. J. Hafner, V. Heine, J. Phys. F1983, 13, 2479.
4. P. Söderlind, O. Eriksson, B. Johansson, J. M. Wills, A. M. Boring, Nature (London) 1995, 374, 524; R. Ahuja, O. Eriksson, J. M. Wills, B. Johansson, Phys. Rev. Lett. 1995, 75, 280; S. I. Simak, U. Häussermann, I. A. Abrikosov, O. Eriksson, J. M. Wills, S. Lidin, B. Johansson, Phys. Rev. Lett. 1997, 79, 1333.
5. P. Söderlind, O. Eriksson, B. Johansson, J. M. Wills, A. M. Boring, Nature (London) 1995, 374, 524; R. Ahuja, O. Eriksson, J. M. Wills, B. Johansson, Phys. Rev. Lett. 1995, 75, 280; S. I. Simak, U. Häussermann, I. A. Abrikosov, O. Eriksson, J. M. Wills, S. Lidin, B. Johansson, Phys. Rev. Lett. 1997, 79, 1333.
6. P. Söderlind, O. Eriksson, B. Johansson, J. M. Wills, A. M. Boring, Nature (London) 1995, 374, 524; R. Ahuja, O. Eriksson, J. M. Wills, B. Johansson, Phys. Rev. Lett. 1995, 75, 280; S. I. Simak, U. Häussermann, I. A. Abrikosov, O. Eriksson, J. M. Wills, S. Lidin, B. Johansson, Phys. Rev. Lett. 1997, 79, 1333.
7. a) Program pacakge WIEN97: P. Blaha, K. Schwarz, J. Luitz, Program WIEN97: A Full Potential Linearized Augmented Plane Wave Package for Calculating Crystal Properties (K. Schwarz, Vienna University of Technology, Austria), 1999 (ISBN 3-9501031-0-4);
8. b) J. M. Wills, unpublished results; J. M. Wills, B. R. Cooper, Phys. Rev. B 1987, 36, 3809;
9. c) J. P. Perdew, Y. Wang, Phys. Rev. B 1992, 45, 13 244;
10. d) L. Hedin, B. I. Lundqvist, J. Phys. C 1971, 4, 2064.
11. D. G. Pettifor, Bonding and Structure of Molecules and Solids, Clarendon Press, Oxford, 1995.
12. U. Häussermann, S. I. Simak, I. A. Abrikosov, S. Lidin, Chem. Eur. J. 1997, 3, 904.
13. 2 (Figure 1) are both equal to the lattice constant a, and in reciprocal space the two directions ΓZ and Γ-X become degenerate (Figure 5).
14. J. K. Burdett, Chemical Bonding in Solids, Oxford University Press, Oxford, 1995.
15. p minus the lowest s →p excitation energy yielding the same spin multiplicity.
16. J. P. Desclaux, At. Data Nucl. Data Tables 1973, 12, 311.
17. R. Ahuja, S. I. Simak, unpublished results.