Ab initio calculation of the formation energy of charged vacancies in germanium

Physica B: Condensed Matter

Volumn 401-402, Issue , 2007, Pages 205-209

  Spiewak P ^a,b   Sueoka, K ^c   Vanhellemont, J ^d   Kurzydlowski K J ^a   Mlynarczyk K ^b   Wabinski P ^b   Romandic, I ^e  

^a WARSAW UNIVERSITY OF TECHNOLOGY   (Poland)

^b Umicore Poland   (Poland)

^c OKAYAMA PREFECTURAL UNIVERSITY   (Japan)

^d GHENT UNIVERSITY   (Belgium)

^e UMICORE   (Belgium)

Author keywords

Ab initio calculations; Ge vacancy

Indexed keywords

ELECTRONIC STATES; ENERGY GAP; SINGLE CRYSTALS; VACANCIES; VALENCE BANDS;

AB INITIO CALCULATIONS; FORMATION ENERGY; GE-VACANCY; PROJECTOR AUGMENTED WAVE (PAW) POTENTIALS;

SEMICONDUCTING GERMANIUM;

EID: 36148933743     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2007.08.147     Document Type: Article

References (36)

1. Giese A., Stolwijk N.A., and Bracht H. Appl. Phys. Lett. 77 (2000) 642
2. Werner M., Mehrer H., and Hochheimer H.D. Phys. Rev. B 32 (1985) 3930
3. Fuchs H.D., Walukiewicz W., Haller E.E., Dondl W., Schorer R., Abstreiter G., Rudnev A.I., Tikhomirov A.V., and Ozhogin V.I. Phys. Rev. B 51 (1995) 16817
4. Hens S., Vanhellemont J., Poelman D., Clauws P., Romandic I., Holsteyns F., and Van Steenbergen J. Appl. Phys. Lett. 87 (2005) 061915
5. Mayburg S. Phys. Rev. 95 (1954) 38
6. Hiraki A. J. Phys. Soc. Jpn. 21 (1952) 34
7. Kröger F.A. The Chemistry of Imperfect Crystal (1964), North-Holland, Amsterdam p. 326
8. Shaw D. Phys. Status Solidi B 72 (1975) 11
9. Vanhellemont J., Śpiewak P., and Sueoka K. J. Appl. Phys. 101 (2007) 036103
10. Hohenberg P., and Kohn W. Phys. Rev. 136 (1964) B864
11. Blöchl P.E. Phys. Rev. B 50 (1994) 17953
12. Kresse G., and Joubert J. Phys. Rev. B 59 (1999) 1758
13. Kresse G., and Furthmüller J. Phys. Rev. B 54 (1996) 11169
14. Kresse G., and Furthmüller J. Comput. Mater. Sci. 6 (1996) 15
15. Ceperley D.M., and Alder B.J. Phys. Rev. Lett. 45 (1980) 566
16. Perdew J.P., and Zunger A. Phys. Rev. B 23 (1981) 5048
17. Monkhorst H.J., and Pack J.D. Phys. Rev. B 13 (1976) 5188
18. Śpiewak P., Kurzydłowski K.J., Sueoka K., Romandic I., and Vanhellemont J. Solid State Phenom. 131-133 (2008) 241
19. Perdew J.P., Parr R.G., Levy M., and Balduz J.L. Phys. Rev. Lett. 49 (1982) 1691
20. Perdew J.P., Levy M., and Balduz J.L. Phys. Rev. Lett. 51 (1983) 1884
21. Sham L.J., and Schlüter M. Phys. Rev. Lett. 51 (1983) 1888
22. Janotti A., Segev D., and Van de Walle C. Phys. Rev. B 74 (2006) 045202
23. Anisimov V.I., Solovyev I.V., Korotin M.A., Czyzyk M.T., and Sawatzky G.A. Phys. Rev. B 48 (1993) 16929
24. Liechtenstein A.I., Anisimov V.I., and Zaanen J. Phys. Rev. B 52 (1995) R5467
25. Van Vechten J.A. Phys. Rev. 182 (1969) 891
26. Singh H.P. Acta Crystallogr. A 24 (1968) 469
27. Morin F.J., and Maita J.P. Phys. Rev. 94 (1954) 1525
28. Van de Walle C.G., and Neugebauer J. J. Appl. Phys. 95 (2004) 3851
29. Mattila T., and Zunger A. Phys. Rev. B 58 (1998) 1367
30. Makov G., and Payne M.C. Phys. Rev. B 51 (1995) 4014
31. Fazzio A., Janotti A., and da Silva A.J.R. Phys. Rev B 61 (2000) R2401
32. Dionízio Moreira M., Miwa R.H., and Venezuela P. Phys. Rev. B 70 (2004) 115215
33. Pinto H.M., Coutinho J., Torres V.J.B., Öberg S., and Briddon P.R. Mater. Sci. Semicond. Process. 9 (2006) 498
34. Sueoka K., and Vanhellemont J. Mater. Sci. Semicond. Process. 9 (2006) 494
35. Hässlein H., Sielemann R., and Zistl C. Phys. Rev. Lett. 80 (1998) 956
36. Zistl C., Sielemann R., Hässlein H., Gall S., Bräunig D., and Bollmann J. Mater. Sci. Forum 258-263 (1997) 53