First-principles calculation of intrinsic defect formation volumes in silicon

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 19, 2005, Pages

  Centoni, Scott A ^a,b   Sadigh, Babak ^b   Gilmer, George H ^b   Lenosky, Thomas J ^c   Díaz De La Rubia, Tomás ^b   Musgrave, Charles B ^d  

^a SAN JOSE STATE UNIVERSITY   (United States)

^b LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

^c OHIO STATE UNIVERSITY   (United States)

^d Stanford University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 29744471003     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.195206     Document Type: Article

References (33)

1. A. Ural, P. B. Griffin, and J. D. Plummer, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83.3454 83, 3454 (1999).
2. H. Bracht, E. E. Haller, and R. Clark-Phelps, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.81.393 81, 393 (1998).
3. K. C. Pandey, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.57. 2287 57, 2287 (1986).
4. K. C. Pandey and E. Kaxiras, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.66.915 66, 915 (1990).
5. T. Y. Tan and U. Gösele, Appl. Phys. A: Solids Surf. APSFDB 0721-7250 10.1007/BF00617863 A37, 1 (1985).
6. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.558 47, R558 (1993).
7. G. Kresse and J. Hafner, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/6/40/015 6, 8245 (1994).
8. G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996).
9. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
10. J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.13244 45, 13244 (1992).
11. F. D. Murnaghan, Proc. Natl. Acad. Sci. U.S.A. PNASA6 0027-8424 30, 244 (1944).
12. H. A. Jahn and E. Teller, Proc. R. Soc. London, Ser. A PRLAAZ 1364-5021 161, 220 (1937).
13. G. D. Watkins, in Defects and Diffusion in Silicon Processing, edited by, T. Diaz de la Rubia,,, S. Coffa,,, P. A. Stolk,, and, C. S. Rafferty,, Mater. Res. Soc. Symp. Proc. MRSPDH 0272-9172 No. 469 (Materials Research Society, Pittsburgh, 1997), pp. 139-150.
14. E. Tarnow, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/5/12/013 5, 1863 (1993).
15. A. Antonelli, E. Kaxiras, and D. J. Chadi, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.81.2088 81, 2088 (1998).
16. M. J. Puska, S. Pöykkö, M. Pesola, and R. M. Nieminen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.58.1318 58, 1318 (1998).
17. J. C. Bourgoin and J. W. Corbett, in Lattice Defects in Semiconductors-1974, edited by, F. A. Funtley,, Institute of Physics (Institute of Physics, Bristol, 1975), IOP Conference Proceedings No. 23, p. 149.
18. J. C. Bourgoin and J. W. Corbett, Phys. Lett. PYLAAG 0375-9601 10.1016/0375-9601(72)90523-3 38A, 135 (1972).
19. A. N. Larsen, C. Cristensen, and J. W. Petersen, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.371453 86, 4861 (1999).
20. P. Ehrhart and H. Zillgen, in Defects and Diffusion in Silicon Processing (Ref.), pp. 175-186.
21. P. Partyka, Y. Zhong, K. Nordlund, R. S. Averback, I. M. Robinson, and P. Ehrhart, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.235207 64, 235207 (2001).
22. R. J. Needs, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/11/50/332 11, 10437 (1999).
23. W.-K. Leung, R. J. Needs, G. Rajagopal, S. Itoh, and S. Ihara, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83.2351 83, 2351 (1999).
24. M. J. Aziz, Mater. Sci. Semicond. Process. MSSPFQ 1369-8001 10.1016/S1369-8001(01)00014-2 4, 397 (2001).
25. A. S. Nowick and B. S. Berry, Anelastic Relaxation in Crystalline Solids (Academic, New York, 1972).
26. E. Kröner, Kontinuumstheorie der Versetzungen und Eigenspannungen (Springer, Berlin, 1958).
27. S. Timoshenko and J. N. Goodier, Theory of Elasticity (McGraw-Hill, New York, 1951), 2nd ed.
28. J. Kim, J. W. Wilkins, F. S. Khan, and A. Canning, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.55.16186 55, 16186 (1997).
29. R. Car, P. J. Kelly, A. Oshiyama, and S. T. Pantelides, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.52.1814 52, 1814 (1984).
30. A. Antonelli and J. Bernholc, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.40.10643 40, 10643 (1989).
31. O. Sugino and A. Oshiyama, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46.12335 46, 12335 (1992).
32. J. Zhu, in Defects and Diffusion in Silicon Processing (Ref.), pp. 151-162.
33. W.-C. Lee, S.-G. Lee, and K. J. Chang, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/10/5/009 10, 995 (1998).