Improvement of energy loss near edge structure calculation using Wien2k

Micron

Volumn 34, Issue 3-5, 2003, Pages 219-225

  Hebert C ^a   Luitz, J ^b   Schattschneider, P ^a  

^a VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

^b Luitznet   (Austria)

Author keywords

Ab initio; Core hole; Density functional theory; EELS; Energy loss near edge structures; Fine structures

Indexed keywords

EID: 0141941104     PISSN: 09684328     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0968-4328(03)00030-1     Document Type: Conference Paper

References (27)

1. Bethe, H.A., 1930. Ann. Phys. 5, 325.
2. Blaha, P., Schwarz, K., Sorantin, P., 1990. Comput. Phys. Commun. 59, 399.
3. Blaha, P., Schwarz, K., Madsen, G., Kvasicka, D., Luitz, J., 2001. WIEN2k, An augmented plane wave + local orbital program for calculating crystal properties (Karlheinz Schwarz, Techn. Universität Wien, Austria).
4. Brydson, R., Bruley, J., Thomas, J.M., 1988. Chem. Phys. Lett. 149, 343.
5. Durham, P.J., Pendry, J.B., Hodges, C.H., 1982. Comput. Phys. Commun. 25, 193.
6. Elsässer, C., Köstlmeier, S., 2001. Ultramicroscopy 86, 325.
7. Grioni, M., van Acker, J.F., Czyžyk, M.T., Fuggle, J.C., 1992. Phys. Rev. B 45, 3309.
8. Hébert, C., Clair, S., Eisenmenger-Sittner, C., Bangert, H., Jouffrey, B., Schattschneider, P., 2001. J. Phys. Condens. Matter 13, 3791.
9. Hébert, C., Willinger, M., Su, D., Pongratz, P., Schattschneider, P., Schlögl, R., 2002. Eur. Phys. J. B 28, 407.
10. Hébert-Souche, C., Louf, P.-H., Blaha, P., Nelhiebel, M., Luitz, J., Schattschneider, P., Schwarz, K., Jouffrey, B., 2000a. Ultramicroscopy 83, 9.
11. Hébert-Souche, C., Bernardi, J., Schattschneider, P., Fidler, J., Jouffrey, B., 2000b. Eur. Phys. J.-Appl. Phys. 9, 147.
12. Hohenberg, P., Kohn, W., 1964. Phys. Rev. 136, B864.
13. Karolik, A.S., Golub, V.M., 1997. Phys. Metals Metallography 83, 461.
14. Kohn, W., Sham, L.J., 1965. Phys. Rev. 140, A1133.
15. Köstlmeier, S., Elsässer, C., 1999. Phys. Rev. B 60, 14025.
16. Lie, K., Høier, R., Brydson, R., 2000. Phys. Rev. B 61, 1786.
17. Luitz, J., Maier, M., Hébert, C., Schattschneider, P., Blaha, P., Schwarz, K., Jouffrey, B., 2001. Eur. Phys. J. B 21, 363.
18. Mizoguchi, T., Tanaka, I., Yoshiya, M., Oba, F., Ogasawara, K., Adachi, H., 2000. Phys. Rev. B 61, 2180.
19. Müller, J.E., Jepsen, O., 1978. Phys. Rev. Lett. 40, 720.
20. Pankhurst, D.A., Botton, G.A., Humphreys, C.J., 2001. Phys. Rev. B 63, 205117.
21. Payne, M.C., Teter, M.P., Allan, D.C., Arias, T.A., Joannopoulos, J.D., 1992. Rev. Mod. Phys. 64, 1045.
22. Pickard, C.J., Payne, C., 1997. Electron Microscopy and Analysis Group Conference EMAG97, IOP Publishing Ltd, pp. 179-182.
23. Rez, P., Bruley, J., Brohan, P., Payne, M., Garvie, L.A.J., 1995. Ultramicroscopy 59, 159.
24. Schattschenider, P., Stöger, M., Hébert, C., Jouffrey, B., 2002. Ultramicroscopy 93, 91.
25. Seminario, J.M. (Ed.), 1996. Recent Developments and Applications of Modern Density Functional Theory, Theoretical and Computational Chemistry, vol. 4. Elsevier, Amsterdam.
26. Stöger, M., Schattschneider, P., Wei, L.Y., Jouffrey, B., Eisenmenger-Sittner, C., 2002. Ultramicroscopy 92, 285.
27. Tamura, E., van Ek, J., Froba, M., Wong, M., 1995. Phys. Rev. Lett. 74, 4899.