Large structural and magnetic phase stability of VS and VSe

Journal of Alloys and Compounds

Volumn 246, Issue 1-2, 1997, Pages 166-176

  Knecht, M ^a   Ebert, H ^c   Bensch, W ^b  

^a UNIVERSITY OF MUNICH   (Germany)

^b GOETHE UNIVERSITY   (Germany)

^c NONE

Author keywords

Linear augmented plane wave method; Magnetic phase diagram; Vanadium selenide; Vanadium sulphide

Indexed keywords

ANTIFERROMAGNETISM; APPROXIMATION THEORY; BAND STRUCTURE; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; LATTICE CONSTANTS; MAGNETIC PROPERTIES; PHASE DIAGRAMS; PHASE EQUILIBRIA; PHASE TRANSITIONS;

DISPERSION RELATIONS; ELECTRONIC CHARGE DENSITY DISTRIBUTION; LINEAR AUGMENTED PLANE WAVE METHOD; MAGNETIC PHASE DIAGRAM; MAGNETIC PHASE STABILITY; VANADIUM SELENIDE; VANADIUM SULPHIDE;

VANADIUM COMPOUNDS;

EID: 0030649455     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0925-8388(96)02480-2     Document Type: Article

References (40)

1. L.H. Lewis and J.B. Goodenough, J. Solid State Chem., 114 (1995) 346.
2. J. Nakahara, H. Franzen and D.K. Misemer, J. Chem. Phys., 76 (1982) 4080.
3. R.J. Kematick and C.E. Myers, Inorg. Chem., 31 (1992) 3568.
4. J. Silvestre, W. Tremel and R. Hoffmann, J. Less-Common Met., 116 (1986) 113.
5. S.H. Liu, W.B. England and H.W. Myron, Solid State Commun., 14 (1974) 1003.
6. K. Motizuki, K. Katoh and A. Yanase, J. Phys. C:, 19 (1986) 495.
7. K. Motizuki, J. Magn. Magn. Mater., 70 (1987) 1.
8. V.L. Moruzzi and P.M. Marcus, J. Appl. Phys., 64 (1988) 5598.
9. H. Ebert and W. Bensch, in preparation.
10. K. Katoh and K. Motizuki, J. Phys. Soc. Jpn., 56 (1987) 655.
11. J. Dijkstra, C.F. van Bruggen, C. Haas and R.A. deGroot, J. Phys.: Condens. Matter, 1 (1989) 9163.
12. W.B. Pearson, A Handbook of Lattice Spacing and Structures of Metals and Alloys, Pergamon, New York, 1956.
13. I. Tsubokawa, J. Phys. Soc. Jpn., 14 (1959) 196.
14. H.L. Skriver, The LMTO-Method, Springer, Berlin, 1983.
15. W.M. Temmerman, P.A. Sterne, G.-Y. Guo and D. Szotek, Mol. Simulation, 4 (1989) 153.
16. W. Bensch and H. Ebert, Solid State Commun., 89 (1994) 235.
17. W. Bensch and H. Ebert, Solid State Commun., 92 (1994) 639.
18. W. Bensch et al., J. Phys. C:, 99 (1995) 3326.
19. W.B. England, S.H. Liu and H.W. Myron, J. Chem. Phys., 60 (1975) 3760.
20. K. Katoh, A. Yanase and K. Motizuki, J. Magn. Magn. Mater., 54-57 (1986) 959.
21. P. Blaha, K. Schwarz, P. Dufek and R. Augustyn, WIEN95, Technical University of Vienna, 1995. (Improved and updated Unix version of the original copyrighted WIEN-code, P. Blaha, K. Schwarz, P. Sorantin and S. B. Trickey, Comput. Phys. Commun., 59 (1990) 399.
22. P. Blaha, K. Schwarz, P. Dufek and R. Augustyn, WIEN95, Technical University of Vienna, 1995. (Improved and updated Unix version of the original copyrighted WIEN-code, P. Blaha, K. Schwarz, P. Sorantin and S. B. Trickey, Comput. Phys. Commun., 59 (1990) 399.
23. D. Singh, Plane Waves, Pseudopotentials and the LAPW Method, Kluwer Academic, Amsterdam, 1994.
24. J.P. Perdew et al., Phys. Rev. B, 46 (1992) 6671.
25. H.F. Franzen and G.A. Sawatzky, J. Solid State Chem., 15 (1975) 229.
26. H. Ebert, in preparation.
27. R.F.W. Bader, T.T.N. Dang and Y. Tal, Rep. Prog. Phys., 44 (1981) 893.
28. H. Ebert and A. Vernes, in preparation.
29. P. Dufek, P. Blaha, V. Sliwko and K. Schwarz, Phys. Rev. B, 49 (1994) 10170.
30. K.-M. Ho, C. Fu and B. Harmon, Phys. Rev. B, 29 (1984) 1575.
31. H.F. Franzen, D.M. Strachan and R.G. Barnes, J. Solid State Chem., 7 (1973) 374.
32. A.R. Mackintosh and O.K. Andersen, The electronic structure of transition metals, in M. Springford (ed.), Electrons at the Fermi Surface, Cambridge University Press, Cambridge, 1980.
33. A.I. Snow, Phys. Rev., 85 (1952) 365.
34. J.F. Janak, Phys. Rev. B, 16 (1977) 255.
35. D. Singh et al., Phys. Rev. B, 44 (1991) 7701.
36. P. Bagno, O. Jepsen and O. Gunnarson, Phys. Rev. B, 40 (1989) 1997.
37. E. Hoschek and W. Klemm, Z. Anorg. Allg. Chem., 242 (1939) 49.
38. W. Bensch, unpublished results.
39. L.M. Corliss, N. Elliot, J.M. Hastings and R.L. Sass, Phys. Rev., 122 (1961) 1402.
40. T. Kamimura, J. Phys. (Paris) Colloq., 8 (1988) 199.