First-principle study of B1-like thorium carbide, nitride and oxide

Journal of Nuclear Materials

Volumn 353, Issue 1-2, 2006, Pages 19-26

  Shein, I R ^a   Shein, K I ^a   Ivanovskii, A L ^a  

^a INSTITUTE OF SOLID STATE CHEMISTRY   (Russian Federation)

Author keywords

T0100; T0700

Indexed keywords

APPROXIMATION THEORY; ELASTIC MODULI; ELECTRIC CHARGE; ELECTROMAGNETIC WAVE ABSORPTION; ELECTROMAGNETIC WAVE EMISSION; MOLECULAR STRUCTURE; RADIOACTIVE MATERIALS;

DENSITIES OF STATES (DOS); PLANE WAVE METHOD; T0100; T0700; THORIUM CARBIDE (THC); THORIUM MONOXIDE (THO); THORIUM NITRIDE (THN); X-RAY EMISSION (XES);

THORIUM COMPOUNDS;

EID: 33745010223     PISSN: 00223115     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnucmat.2006.02.075     Document Type: Article

References (28)

1. In: Freeman A.J., and Lander G.H. (Eds). Handbook of the Physics and Chemistry of the Actinides (1985), North-Holland, Amsterdam
2. Benz R., and Naoumidis A. Thorium, Compounds with Nitrogen, Gmelin Handbook of Inorganic Chemistry. eighth ed. Thorium supplement vol. C3 (1987), Springer, Berlin
3. Kleykamp H. Thorium Carbides. Gmelin Handbook of Inorganic and Organometallic Chemistry. eighth ed. Thorium supplement vol. C6 (1992), Springer, Berlin
4. Evensen A.H.M., Catherall R., Drumm P., Van Duppen P., Jonsson O.C., Kugler E., Lettry J., Tengblad O., Tikhonov V., and Ravn H.L. Nuclear Inst. Method. Phys. Res. B 126 (1997) 160
5. Benedict U. J. Less-Common Met. 128 (1987) 7
6. Ackermann R.J., and Rauh E.G. J. Inorg. Nucl. Chem. 35 (1973) 3787
7. Gubanov V.A., Ivanovskii A.L., and Zhukov V.P. Electronic Structure of Refractory Carbides and Nitrides (1994), Cambridge, University Press (2005, second ed.)
8. Sedmidubsky D., Konings R.J.M., and Novak P. J. Nucl. Mater. 344 (2005) 40
9. Gouder T., Havela L., Black L., Wastin F., Rebizant J., Boulet P., Bouexiere D., Heathman S., and Idiri M. J. Alloys Comp. 336 (2002) 73
10. Adachi J., Kurosaki K., Uno M., and Yamanaka S. J. Alloys Comp. 394 (2005) 312
11. Aynyas M., Sanyal S.P., and Jha P.K. Phys. Stat. Sol. B 229 (2002) 1459
12. Das T., Deb S., and Mookerjee A. Physica B 367 (2005) 6
13. Li S., Ahuja R., and Johansson B. High Pressure Res. 22 (2002) 471
14. Olsen J.S., Gerward L., Kanchana V., and Vaitheeswaran G. J. Alloys Comp. 381 (2004) 37
15. Teterin Yu.A., Terekhov V.A., Teterin A.Yu., Ivanov K.E., Utkin I.O., Lebedev A.M., and Vukchevich L. J. Electr. Spectr. Related Phenom. 96 (1998) 229
16. Anthonysamy S., Panneerselvam G., Bera S., Narasimhan S.V., and Vasudeva Rao P.R. J. Nucl. Mater. 281 (2000) 15
17. Blaha P., Schwarz K., Madsen G.K.H., Kvasnicka D., and Luitz J. In: Schwarz K. (Ed). WIEN2K, An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties (2001), Techn. Universität Wien, Austria
18. Perdew J.P., Burke S., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
19. Blöchl P.E., Jepsen O., and Andersen O.K. Phys. Rev. B 49 (1994) 16223
20. Neckel A., Schwarz K., Eibler R., and Rastl P. Microchim. Acta Suppl. 6 (1975) 257
21. Gerward L., Olsen J.S., Benedict U., Itié J.P., and Spirlet J.C. J. Appl. Cryst. 18 (1985) 339
22. Gerward L., Olsen J.S., Benedict U., Itié J.P., and Spirlet J.C. J. Appl. Cryst. 19 (1986) 308
23. Hachiy K., and Ito Y. Physica B 262 (1999) 233
24. Samsonov G.V., and Vinizkii I.M. Refractory Compounds (1976), Moskwa, Nauka (in Russian)
25. Greiner J.D., Peterson D.T., and Smith J.F. J. Appl. Phys. 48 (1977) 3357
26. Grossman J.C., Mizel A., Cote M., Cohen M.L., and Louie S.G. Phys. Rev. B 60 (1999) 6343
27. Wu Z., Chen X.-J., Struzhkin V.V., and Cohen R.E. Phys. Rev. B 71 (2005) 214103
28. Kittel C. Introduction to Solid State Physics. fourth ed. (1986), Wiley, New York - London - Sydney - Toronto