First-principles investigation of structural, electronic and optical properties of IVA group spinel nitrides

European Physical Journal B

Volumn 59, Issue 2, 2007, Pages 155-165

  Wang, Hao ^a   Chen, Ying ^a   Kaneta, Yasunori ^a   Iwata, Shuichi ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC BAND GAPS; RANDOM PHASE APPROXIMATION (RPA); SPINEL NITRIDES; SPINEL PHASES;

ELECTRONIC PROPERTIES; ELECTRONIC STATES; ENERGY GAP; OXIDATION RESISTANCE; PHASE INTERFACES; SILICON NITRIDE;

STRUCTURAL CERAMICS;

EID: 35349030902     PISSN: 14346028     EISSN: 14346036     Source Type: Journal    
DOI: 10.1140/epjb/e2007-00283-3     Document Type: Article

References (41)

1. V.I. Belyi, Material Science Monographs (Elsevier, New York, 1988), Vol. 34
2. R.N. Katz, Science 208, 841 (1980)
3. I. Kohastu, J.W. McCauley, Mater. Res. Bull. 9, 917 (1974)
4. H.F. Priest, F.C. Burns, G.L. Priest, E.C. Skaar, J. Am. Ceram. Soc. 56, 395 (1973)
5. O. Borgen, H.M. Seip, Acta Chem. Scand. 15, 1789 (1961)
6. S. Wild, P. Grieveson, K.H. Jack, Spec. Ceram. 5, 385 (1972)
7. A. Zerr, G. Miehe, G. Serghiou, M. Schwartz, E. Kroke, R. Riedel, H. Fuess, P. Kroll, R. Boehler, Nature 400, 340 (1999)
8. H. Wang, Y. Chen, Y. Kaneta, S. Iwata, J. Phys.: Condens. Matter 18, 10663 (2006)
9. G. Serghiou, G. Miehe, A. Tschauner, A. Zerr, R. Boehler, J. Chem. Phys. 111, 4659 (1999)
10. T. Sekine, H. He, T. Kobayashi, M. Zhang, F. Xu, Appl. Phys. Lett. 76, 3706 (2000)
11. J. Dong, O.F. Sankey, S.K. Deb, G. Wolf, P.F. McMillan, Phys. Rev. B 61, 11979 (2000)
12. D.M. Teter, R.J. Hemley, Science 271, 53 (1996)
13. M. Shemkunas, G.H. Wolf, K. Leinenweber, W.T. Petuskey, J. Am. Ceram. Soc. 85, 101 (2002)
14. N. Scotti, W. Kockelmann, J. Senker, S. Trassel, H. Jacobs, Z. Anorg. Allg. Chem. 625, 1435 (1999)
15. L. Maya, Inorg. Chem. 31, 1958 (1992)
16. P.R. Coffman, Synthesis, processing and characterization of several group IV, V and VI nitrides and related compounds, Ph.D. Dissertation, Arizona State University, 1996, pp. 89-107
17. L. Maya, J. Vac. Sci. Technol. A 11, 604 (1993)
18. T. Maruyama, T. Morishita, J. Appl. Phys. 77, 6641 (1995)
19. T. Maruyama, T. Morishita, Appl. Phys. Lett. 69, 890 (1996)
20. Y. Inoue, M. Nomiya, O. Takai, Vacuum 51, 673 (1998)
21. N. Takahashi, K. Terada, T. Nakamura, J. Mater. Chem. 10, 2835 (2000)
22. S.D. Mo, L. Ouyang, W. Ching, I. Tanaka, Y. Koyama, R. Riedel, Phys. Rev. Lett. 83, 5046 (1999)
23. W.Y. Ching, S.D. Mo, L. Quyang, Phys. Rev. B 63, 245110 (2001)
24. W.Y. Ching, S.D. Mo, L. Ouyang, I. Tanaka, M. Yoshiya, Phys. Rev. B 61, 10609 (2000)
25. W.Y. Ching, S.D. Mo, L. Quyang, P. Rulis, J. Am. Ceram. Soc. 85, 75 (2002)
26. J.P. Perdew, Y. Wang, Phys. Rev. B 45, 13244 (1992)
27. J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)
28. P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, J. Luitz, WIEN2k An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties (Karlheinz Schwarz, Techn. Universität Wien, Austria, ISBN 3-9501031-1-2, 2001)
29. K. Schwarz, P. Blaha, G.K.H. Madsen, Computer Phys. Commun. 147, 71 (2002)
30. P.E. Blochl, O. Jepsen, O.K. Andersen, Phys. Rev. B 49, 16223 (1994)
31. P.A. Fox, A.D. Hall, N.L. Schryer, ACM Trans. Math. Software, New York, 1978, Vol. 4
32. H.J. Grenville-Wells, K. Lonsdale, Nature 181, 758 (1958)
33. G.K.H. Madsen, P. Blaha, K. Schwarz, E. Sjöstedt, L. Nordström, Phys. Rev. B 64, 195134 (2001)
34. W.Y. Ching, P. Rulis, Phys. Rev. B 73, 045202 (2006)
35. M. Shemkunas, W.T. Petuskey, A.V.G. Chizmeshya, K. Leinenweber, G.H. Wolf, J. Mater. Res. 19, 1392 (2004)
36. J. Dong, J. Deslippe, O.F. Sankey, E. Soignard, P.F. McMillan, Phys. Rev. B 67, 094104 (2003)
37. J.F. Jansen, A.J. Freeman, Phys. Rev. B 30, 561 (1984)
38. L. Hedin, Phys. Rev. 139, A796 (1965)
39. H.A. Kramers, Nature 117, 775 (1926)
40. R.d.L. Kronig, J. Opt. Soc. Am. 12, 547 (1926)
41. N. Christensen, B. Seraphin, Phys. Rev. B 4, 3321 (1971)