First-principles modeling of intrinsic and extrinsic defects in γ -Al2 O3

Applied Physics Letters

Volumn 97, Issue 21, 2010, Pages

  Sankaran, K ^a,b   Pourtois, G ^a,c   Degraeve, R ^a   Zahid, M B ^a   Rignanese, G M ^b   Van Houdt, J ^a  

^a IMEC   (Belgium)

^b UNIVERSITÉ CATHOLIQUE DE LOUVAIN   (Belgium)

^c UNIVERSITY OF ANTWERP   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC VACANCIES; BAND GAPS; CONDUCTION BAND EDGE; ELECTRICAL MEASUREMENT; ELECTRONIC SIGNATURES; ENERGY LEVEL; EXTRINSIC DEFECTS; FIRST-PRINCIPLES MODELING; NON-VOLATILE MEMORIES; QUASI PARTICLES; VALENCE BAND EDGES;

ALUMINUM; ELECTRON MOBILITY; ELECTRONIC PROPERTIES; ENERGY GAP; POINT DEFECTS;

DEFECTS;

EID: 78649598925     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3507385     Document Type: Article

References (26)

1. G. D. Wilk, R. M. Wallace, and J. M. Anthony, J. Appl. Phys. JAPIAU 0021-8979 89, 5243 (2001). 10.1063/1.1361065
2. J. A. Kittl, K. Opsomer, M. Popovici, N. Menou, B. Kaczer, X. P. Wang, C. Adelmann, M. A. Pawlak, K. Tomida, A. Rothschild, B. Govoreanu, R. Degraeve, M. Schaekers, M. B. Zahid, A. Delabie, J. Meersschaut, W. Polspoel, S. Clima, G. Pourtois, W. Knaepen, C. Detavernier, V. V. Afanas'ev, T. Blomberg, D. Pierreux, J. Swerts, P. Fischer, J. W. Maes, D. Manger, W. Vandervorst, T. Conard, A. Franquet, P. Favia, H. Bender, B. Brijs, S. Van Elshocht, M. Jurczak, J. Van Houdt, and D. J. Wouters, Microelectron. Eng. MIENEF 0167-9317 86, 1789 (2009). 10.1016/j.mee.2009.03.045
3. G. Molas, M. Bocquet, E. Vianello, L. Perniola, H. Grampeix, J. P. Colonna, L. Masarotto, F. Martin, P. Brianceau, M. Gely, C. Bongiorno, S. Lombardo, G. Pananakakis, G. Ghibaudo, and B. De Salvo, Microelectron. Eng. MIENEF 0167-9317 86, 1796 (2009). 10.1016/j.mee.2009.03.083
4. B. O'Connor, D. Li, B. K. Gan, B. Latella, and J. Carter, Adv. X-Ray Anal. AXRAAA 0376-0308 41, 659 (1999).
5. T. C. Chou and T. G. Nieh, J. Am. Ceram. Soc. JACTAW 0002-7820 74, 2270 (1991). 10.1111/j.1151-2916.1991.tb08295.x
6. C. K. Lee, E. Cho, H. -S. Lee, K. Seol, and S. Han, Phys. Rev. B PLRBAQ 0556-2805 76, 245110 (2007). 10.1103/PhysRevB.76.245110
7. C. H. Lee, K. I. Choi, M. K. Cho, Y. H. Song, K. C. Park, and K. Kim, Tech. Dig.-Int. Electron Devices Meet. TDIMD5 0163-1918 2003, 613.
8. A. Kerber, E. Cartier, R. Degraeve, L. Pantisano, P. Roussel, and G. Groeseneken, Dig. Tech. Pap.-Symp. VLSI Technol. DTPTEW 0743-1562 2002, 76.
9. R. Degraeve, M. J. Cho, B. Govoreanu, B. Kaczer, M. Zahid, J. Van Houdt, and M. Jurczak, Tech. Dig.-Int. Electron Devices Meet. TDIMD5 0163-1918 2008, 775.
10. M. B. Zahid, A. Arreghini, R. Degraeve, B. Govoreanu, A. Suhane, and J. Van Houdt, IEEE Electron Device Lett. EDLEDZ 0741-3106 31, 1158 (2010). 10.1109/LED.2010.2057239
11. R. W. Godby, M. Schlüter, and L. J. Sham, Phys. Rev. Lett. PRLTAO 0031-9007 56, 2415 (1986) 10.1103/PhysRevLett.56.2415; P. Rinke, A. Qteish, J. Neugebauer, C. Freysoldt, and M. Scheffler, New J. Phys. NJOPFM 1367-2630 7, 126 (2005) 10.1088/1367-2630/7/1/126; P. Rinke, A. Qteish, J. Neugebauer, and M. Scheffler, Phys. Status Solidi B PSSBBD 0370-1972 245, 929 (2008). 10.1002/pssb.200743380
12. S. Kümmel and L. Kronig, Rev. Mod. Phys. RMPHAT 0034-6861 80, 3 (2008). 10.1103/RevModPhys.80.3
13. L. Hedin, Phys. Rev. PHRVAO 0031-899X 139, A796 (1965). 10.1103/PhysRev.139.A796
14. X. Gonze, B. Amadond, P. -M. Anglade, J. -M. Beuken, F. Bottin, P. Boulanger, F. Bruneval, D. Caliste, R. Caracas, M. Coté, T. Deutsch, L. Genovese, Ph. Ghosez, M. Giantomassi, S. Goedecker, D. R. Hamann, P. Hermet, F. Jollet, G. Jomard, S. Leroux, M. Mancini, S. Mazevet, M. J. T. Oliveira, G. Onida, Y. Pouillon, T. Rangel, G. -M. Rignanese, D. Sangalli, R. Shaltaf, M. Torrent, M. J. Verstraete, G. Zerah, and J. W. Zwanziger, Comput. Phys. Commun. CPHCBZ 0010-4655 180, 2582 (2009). 10.1016/j.cpc.2009.07.007
15. P. E. Blöchl, Phys. Rev. B PLRBAQ 0556-2805 50, 17953 (1994). 10.1103/PhysRevB.50.17953
16. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 77, 3865 (1996) 10.1103/PhysRevLett.77.3865; J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 78, 1396 (E) (1997). 10.1103/PhysRevLett.78.1396
17. R. W. Godby and R. J. Needs, Phys. Rev. Lett. PRLTAO 0031-9007 62, 1169 (1989). 10.1103/PhysRevLett.62.1169
18. G. Paglia, C. E. Buckley, A. L. Rohl, B. A. Hunter, R. D. Hart, J. V. Hanna, and L. T. Byrne, Phys. Rev. B PLRBAQ 0556-2805 68, 144110 (2003). 10.1103/PhysRevB.68.144110
19. E. Meńndez-Proupin and G. Gutírrez, Phys. Rev. B PLRBAQ 0556-2805 72, 035116 (2005). 10.1103/PhysRevB.72.035116
20. B. Ealet, M. H. Elyakhloufi, E. Gillet, and M. Ricci, Thin Solid Films THSFAP 0040-6090 250, 92 (1994). 10.1016/0040-6090(94)90171-6
21. D. Liu and J. Robertson, Microelectron. Eng. MIENEF 0167-9317 86, 1668 (2009) 10.1016/j.mee.2009.03.011
22. J. Robertson, Rep. Prog. Phys. RPPHAG 0034-4885 69, 327 (2006). 10.1088/0034-4885/69/2/R02
23. J. R. Weber, A. Janotti, and C. G. Van de Walle, Microelectron. Eng. MIENEF 0167-9317 86, 1756 (2009). 10.1016/j.mee.2009.03.059
24. H. P. Pinto, R. M. Nieminen, and S. D. Elliott, Phys. Rev. B PLRBAQ 0556-2805 70, 125402 (2004). 10.1103/PhysRevB.70.125402
25. M. Lanza, M. Porti, M. Nafria, X. Aymerich, G. Benstetter, E. Lodermeier, H. Ranzinger, G. Jaschke, S. Teichert, L. Wilde, and P. Michalowski, Microelectron. Eng. MIENEF 0167-9317 86, 1921 (2009). 10.1016/j.mee.2009.03.020
26. F. S. Ohuchi, S. Ghose, M. H. Engelhard, and D. R. Baer, Am. Mineral. AMMIAY 0003-004X 91, 740 (2006). 10.2138/am.2006.1887