First-principles study of O adsorption at SiC surface

Materials Science Forum

Volumn 457-460, Issue II, 2004, Pages 1293-1296

  Rurali, R ^a,b   Wachowicz, E ^c,d   Ordejon P ^b   Godignon, P ^a   Rebollo, J ^a   Hyldgaard, P ^c  

^a INSTITUTO DE MICROELECTRÓNICA DE BARCELONA   (Spain)

^b INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA ICMAB CSIC   (Spain)

^c CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

^d UNIVERSITY OF WROC AW   (Poland)

Author keywords

Density Functional Theory; Oxidation; SiC

Indexed keywords

ADSORPTION; APPROXIMATION THEORY; BINDING ENERGY; ENERGY GAP; HYDROGEN; MOLECULAR DYNAMICS; OXIDATION; OXYGEN; PROBABILITY DENSITY FUNCTION;

LATTICE RELAXATION; SIC; SURFACE RECONSTRUCTION;

SILICON CARBIDE;

EID: 8744258909     PISSN: 02555476     EISSN: 16629752     Source Type: Book Series    
DOI: 10.4028/www.scientific.net/msf.457-460.1293     Document Type: Conference Paper

References (13)

1. M. DiVentra and S. Pantelides, Phys. Rev. Lett., 83, 1624 (1999); A. Gali, D. Heringer, P. Deák, Z. Hajnal, Th. Frauenheim, R. P. Devaty and W. J. Choyke, Phys. Rev. B, 66, 125208 (2002).
2. M. DiVentra and S. Pantelides, Phys. Rev. Lett., 83, 1624 (1999); A. Gali, D. Heringer, P. Deák, Z. Hajnal, Th. Frauenheim, R. P. Devaty and W. J. Choyke, Phys. Rev. B, 66, 125208 (2002).
3. M. DiVentra and S. Pantelides, Phys. Rev. Lett., 86, 5946 (2001); P. Deák, A. Gali, Z. Hajnal, Th. Frauenheim, N. T. Son, E. Janzén and W. J. Choyke, Mat. Sci. Forum, 433-436, 535 (2003).
4. M. DiVentra and S. Pantelides, Phys. Rev. Lett., 86, 5946 (2001); P. Deák, A. Gali, Z. Hajnal, Th. Frauenheim, N. T. Son, E. Janzén and W. J. Choyke, Mat. Sci. Forum, 433-436, 535 (2003).
5. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
6. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
7. J. Soler, E. Artacho, J. D. Gale, A. García, J. Junquera, P. Ordejón and D. Sánchez-Portal, J. Phys.: Condens. Matter, 14, 2745 (2002).
8. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991).
9. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980); J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
10. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980); J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
11. S. A. Shevlin, J. Fisher and E. Hernández, Phys. Rev. B, 63, 195306 (2001).
12. R. Rurali, P. Godignon, J. Rebollo, P. Ordejón and E. Hernández, Appl. Phys. Lett., 81, 2989 (2002).
13. O2.