Characterization of the electronic properties of YB4 and YB 6 using 11B NMR and first-principles calculations

Journal of Alloys and Compounds

Volumn 383, Issue 1-2, 2004, Pages 232-238

  Jager B ^a   Paluch, S ^b   Wolf, W ^c   Herzig, P ^a   Zogal O J ^b   Shitsevalova, N ^d   Paderno, Y ^d  

^a UNIVERSITY OF VIENNA   (Austria)

^b INSTITUTE OF LOW TEMPERATURE AND STRUCTURE RESEARCH   (Poland)

^c Materials Design sarl   (France)

^d FRANTSEVICH INSTITUTE FOR PROBLEMS OF MATERIALS SCIENCE   (Ukraine)

Author keywords

Chemical bonding; Electric field gradient; Electronic band structure; Metal borides; NMR

Indexed keywords

CRYSTALLOGRAPHY; ELECTRIC FIELD EFFECTS; NUCLEAR MAGNETIC RESONANCE; OPTIMIZATION; SPECTRUM ANALYSIS; STRUCTURAL ANALYSIS; THERMOELECTRICITY;

FREE INDUCTION DECAY (FID); PROJECTOR AUGMENTED WAVE (PAW); STRUCTURAL PARAMETERS;

YTTRIUM COMPOUNDS;

EID: 7644223710     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2004.04.067     Document Type: Conference Paper

References (42)

1. Matthias B.T., Geballe T.H., Andres K., Corenzwit E., Hull G.W., Maita J.P., Science. 159:1968;530.
2. Imai Y., Mukaida M., Ueda M., Watanabe A., Intermetallics. 9:2001;721.
3. Zogał O.J., Wolf W., Herzig P., Vuorimäki A.H., Ylinen E.E., Vajda P., Phys. Rev. B. 64:2001;214110.
4. Wolf W., Herzig P., Phys. Rev. B. 66:2002;224112.
5. Wolf W., Herzig P., J. Alloys Comp. 356-357:2003;73.
6. Ohno T., Kishimoto Y., Kanashiro T., Kunii S., Czech. J. Phys. 46(Suppl. S46):1996;787.
7. http://www.cms.mpi.univie.ac.at/vasp/; http://www.materialsdesign.com/Pages/VASP.htm.
8. http://www.cms.mpi.univie.ac.at/vasp/; http://www.materialsdesign.com/Pages/VASP.htm.
9. Kresse G., Furthmüller J., Phys. Rev. B. 54:1996;11169.
10. Kresse G., Furthmüller J., Comput. Mater. Sci. 6:1996;15.
11. Hohenberg P., Kohn W., Phys. Rev. 136:1964;B864.
12. Kohn W., Sham L.J., Phys. Rev. 140:1965;A1133.
13. Blöchl P.E., Phys. Rev. B. 50:1994;17953.
14. Kresse G., Joubert D., Phys. Rev. B. 59:1999;1758.
15. Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., Fiolhais C., Phys. Rev. B. 46:1992;6671.
16. Guette A., Vlasse M., Etourneau J., Naslain R., C.R. Acad. Sci. Paris, Ser. C. 291:1980;145.
17. Klesnar H.P., Rogl P., High Temp.-High Press. 22:1990;453.
18. Zhuravlev N.N., Belousova I.A., Manelis R.M., Belousova N.A., Sov. Phys. Crystallogr. 15:1971;723. [Kristallografiya 15 (1970) 836].
19. Zhuravlev N.N., Belousova I.A., Manelis R.M., Belousova N.A., Sov. Phys. Crystallogr. 15:1971;723. [Kristallografiya 15 (1970) 836].
20. F. Binder, Radex-Rdsch. (1977) 52.
21. M. Korsukova, in: Proceedings of the 11th International Symposium on Boron, Borides, and Related Compounds, Tsukuba, 1993, JJAP Series 10 (1994) 15.
22. Takahashi Y., Ohshima K., Okamura F.P., Otani S., Tanaka T., J. Phys. Soc. Jpn. 68:1999;2304.
23. Andersen O.K., Phys. Rev. B. 12:1975;3060.
24. Koelling D.D., Arbman G.O., J. Phys. F: Met. Phys. 5:1975;2041.
25. Wimmer E., Krakauer H., Weinert M., Freeman A.J., Phys. Rev. B. 24:1981;864.
26. Jansen H.J.F., Freeman A.J., Phys. Rev. B. 30:1984;561.
27. Min B.I., Oguchi T., Jansen H.J.F., Freeman A.J., J. Magn. Magn. Mater. 54-57:1986;1091.
28. Hedin L., Lundqvist B.I., J. Phys. C: Solid State Phys. 4:1971;2064.
29. Hedin L., Lundqvist S., J. Phys. Paris. 33:1972;C3-C73.
30. Herzig P., Theoret. Chim. Acta. 67:1985;323.
31. Blaha P., Schwarz K., Herzig P., Phys. Rev. Lett. 54:1985;1192.
32. Blaha P., Schwarz K., Dederichs P.H., Phys. Rev. B. 37:1988;2792.
33. Massiot D., Fayon F., Capron M., King I., Le Calve S., Alonso B., Durand J.-O., Bujoli B., Gan Z., Hoatson G., Magn. Reson. Chem. 40:2002;70.
34. H. Nöth, B. Wrackmeyer, in: P. Diehl, E. Fluck, R. Kosfeld (Eds.), NMR Basic Principles and Progress, vol. 14, Springer, 1978, p. 1.
35. Sundholm D., Olsen J., J. Chem. Phys. 94:1991;5051.
36. Pyykkö P., Z. Naturforsch. 47a:1992;189.
37. Schwarz K., Ripplinger H., Blaha P., Z. Naturforsch. 51a:1996;527.
38. Gerashenko A.P., Mikhalev K.N., Verkhovskii S.V., Karkin A.E., Goshchitskii B.N., Phys. Rev. B. 65:2002;132506.
39. Suh B.J., Borsa F., Torgeson D.R., Cho B.K., Canfield P.C., Johnston D.C., Rhee J.Y., Harmon B.N., Phys. Rev. B. 54:1996;15341.
40. I.R. Shein, S.V. Okatov, N.I. Medvedeva, A.L. Ivanovskii, cond-mat/0202015 (2002).
41. Longuet-Higgins H.C., de V. Roberts M., Proc. R. Soc. London. 224:1954;336.
42. Walch P.F., Ellis D.E., Mueller F.M., Phys. Rev. B. 15:1977;1859.