Electronic structure of α-MnS (alabandite): An ab initio study

Chemical Physics Letters

Volumn 273, Issue 1-2, 1997, Pages 83-90

  Tappero, Rémy ^a   D'Arco, Philippe ^b   Lichanot, Albert ^a  

^a UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR   (France)

^b LABORATOIRE DE GÉOLOGIE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031564823     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)00591-5     Document Type: Article

References (30)

1. [1] R.L. Clendenen, H.G. Drickamer, J. Chem. Phys. 44 (1966) 4223.
2. [2] I. Wakabayashi, H. Kobayashi, H. Nagasaki, S. Minomura, J. Phys. Soc. Jpn. 25 (1968) 227.
3. [3] A. Kraft, B. Greuling, Cryst. Res. Technol. 23 (1988) 605.
4. [4] C. McCammon, Phys. Chem. Minerals 17 (1991) 636.
5. [5] J.S. Sweeney, D.L. Heinz, Phys. Chem. Minerals 22 (1993) 63.
6. [6] M. Kobayashi, T. Nakai, S. Mochizuki, N. Takayama, J. Phys. Chem. Solids 56 (1995) 341.
7. [7] H. Sato, T. Mihara, A. Furuta, Y. Ueda, H. Namatame, M. Taniguchi, J. Electron Spectrosc. Relat. Phenom. 78 (1996) 87.
8. [8] W. Heimbrodt, C. Benecke, O. Goede, H.E. Gumlich, Phys. Status Solidi (b) 154 (1989) 405.
9. [9] W. Heimbrodt, C. Benecke, O. Goede, H.E. Gumlich, J. Cryst. Growth 101 (1990) 911.
10. [10] S.H. Wei, A. Zunger, Phys. Rev. B48 (1993) 6111.
11. [11] R. Dovesi, V.R. Saunders, C. Roetti, M. Causà, N.M. Harrison, R. Orlando and E. Aprà. CRYSTAL 95 User's Manual (University of Torino, Torino, 1996).
12. [12] W.C. Mackrodt, N.M. Harrison, V.R. Saunders, N.L. Allan, M.D. Towler, E. Aprà, R. Dovesi, Philos. Mag. A68 (1993) 653.
13. [13] M.D. Towler, N.L. Allan, N.M. Harrison, V.R. Saunders, W.C. Mackrodt, E. Aprà, Phys. Rev. B50 (1994) 5041.
14. [14] E. Aprà, Ph.D. Thesis, University of Torino (1993).
15. [15] C. Pisani, Quantum Mechanical Ab initio calculation of the properties of crystalline materials. Lecture Notes in Chemistry 67, ch. 6, (1996), Springer, Berlin.
16. [16] M. Catti, G. Sandrone, G. Valerio, R. Dovesi, J. Phys. Chem. Solids 57 (1996) 1735.
17. [17] F. Freyria-Fava, I. Baraille, A. Lichanot, C. Larrieu and R. Dovesi (submitted).
18. [18] R. Dovesi, M. Causà, R. Orlando, C. Roetti, V.R. Saunders, J. Chem. Phys. 92 (1990) 7402.
19. [19] M. Mian, N.M. Harrison, V.R. Saunders, W.R. Flavell, Chem. Phys. Lett. 257 (1996) 627.
20. [20] J.P. Perdew, Y. Wang, Phys. Rev. B45 (1992) 13244.
21. [21] J.P. Perdew, J.A. Chevary, S.H. Vosko, M.R. Pederson, D.J. Singh, C. Fiolhais, Phys, Rev. B46 (1992) 6671.
22. [22] P.S. Bakhshi, V.K. Jain, J. Shanker, J. Inorg. Nucl. Chem. 43 (1981) 901.
23. [23] Janaf Thermochemical Tables, 3rd ed., J. Phys. Chem. Ref. Data 14, suppl., 1 (1985).
24. [24] J.B. Holbrook, R. Sabry-Grant, B.C. Smith, T.V. Tandel, J. Chem. Educ. 67 (1990) 304.
25. [25] R. Dovesi, C. Roetti, F. Freyria-Fava, E. Aprà, V.R. Saunders, N.M. Harrison, Philos. Trans. R. Soc. London A341 (1992) 203.
26. [26] L.J. de Jongh, A.R. Miedema, Adv. Phys. 23 (1974) 1.
27. [27] L.J. de Jongh, R. Block, Physica 79B (1975) 568.
28. [28] J.M. Ricart, R. Dovesi, V.R. Saunders, C. Roetti, Phys. Rev. B52 (1995) 2381.
29. [29] C, Kittel, Introduction to Solid State Physics. 6th ed. (Wiley, Chichester, 1986) ch. 15.
30. [30] W. Kleemann, F.J. Schäfer, Solid State Commun. 69 (1988) 95.