Mass transport in CuInSe2 from first principles

Journal of Applied Physics

Volumn 113, Issue 13, 2013, Pages

  Oikkonen, L E ^a   Ganchenkova, M G ^a,b   Seitsonen, A P ^c   Nieminen, R M ^a  

^a AALTO UNIVERSITY   (Finland)

^b NATIONAL RESEARCH NUCLEAR UNIVERSITY MEPHI   (Russian Federation)

^c UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL CONDITIONS; DIFFUSION MECHANISMS; FIRST PRINCIPLES; FIRST-PRINCIPLES CALCULATION; INHOMOGENEITIES; MIGRATION BARRIERS; SELF-DIFFUSION; TRANSPORT MECHANISM;

CALCULATIONS; COPPER; COPPER COMPOUNDS; INDIUM; SELENIUM;

DIFFUSION BARRIERS;

EID: 84879912249     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4799064     Document Type: Conference Paper

References (38)

1. M. Kemell, M. Ritala, and M. Leskelä, Crit. Rev. Solid State Mater. Sci. 30, 1-31 (2005). 10.1080/10408430590918341
2. S. Siebentritt, M. Igalson, C. Persson, and S. Lany, Prog. Photovoltaics 18, 390 (2010). 10.1002/pip.936
3. P. M. Fahey, P. B. Griffin, and J. D. Plummer, Rev. Mod. Phys. 61, 289-384 (1989). 10.1103/RevModPhys.61.289
4. D. Caliste and P. Pochet, Phys. Rev. Lett. 97, 135901 (2006). 10.1103/PhysRevLett.97.135901
5. D. J. Schroeder, G. D. Berry, and A. A. Rockett, Appl. Phys. Lett. 69, 4068-4070 (1996). 10.1063/1.117820
6. O. Lundberg, J. Lu, A. Rockett, M. Edoff, and L. Stolt, J. Phys. Chem. Solids 64, 1499-1504 (2003). 10.1016/S0022-3697(03)00127-6
7. K. Djessas, S. Yapi, G. Massé, M. Ibannain, and J. L. Gauffier, J. Appl. Phys. 95, 4111 (2004). 10.1063/1.1652252
8. M. Marudachalam, R. W. Birkmire, H. Hichri, J. M. Schultz, A. Swartzlander, and M. M. Al-Jassim, J. Appl. Phys. 82, 2896-2905 (1997). 10.1063/1.366122
9. H. J. von Bardeleben, J. Appl. Phys. 56, 321-326 (1984). 10.1063/1.333966
10. K. Gartsman, L. Chernyak, V. Lyahovitskaya, D. Cahen, V. Didik, V. Kozlovsky, R. Malkovich, E. Skoryatina, and V. Usacheva, J. Appl. Phys. 82, 4282-4285 (1997). 10.1063/1.366252
11. A. Praveen Kumar and K. V. Reddy, Thin Solid Films 304, 365-370 (1997). 10.1016/S0040-6090(97)00039-4
12. K. Becker and S. Wagner, Phys. Rev. B 27, 5240 (1983). 10.1103/PhysRevB.27.5240
13. G. Dagan, T. F. Ciszek, and D. Cahen, J. Phys. Chem. 96, 11009-11017 (1992). 10.1021/j100205a073
14. I. Lubomirsky, K. Gartsman, and D. Cahen, J. Appl. Phys. 83, 4678 (1998). 10.1063/1.367254
15. M. Kleinfeld and H.-D. Wiemhöfer, Solid State Ionics 28-30, 1111 (1988). 10.1016/0167-2738(88)90340-2
16. J. Pohl and K. Albe, J. Appl. Phys. 108, 023509 (2010); 10.1063/1.3456161
17. J. Pohl and K. Albe, J. Appl. Phys, 110, 109905(E) (2011). 10.1063/1.3662187
18. J. Pohl, A. Klein, and K. Albe, Phys. Rev. B 84, 121201 (2011). 10.1103/PhysRevB.84.121201
19. J. Philibert. Atom Movements: Diffusion and Mass Transport in Solids (Éditions de Physique, Les Ulis, France, 1991).
20. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169-11186 (1996). 10.1103/PhysRevB.54.11169
21. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15-50 (1996). 10.1016/0927-0256(96)00008-0
22. P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50. 17953
23. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
24. J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 118, 8207 (2003). 10.1063/1.1564060
25. L. E. Oikkonen, M. G. Ganchenkova, A. P. Seitsonen, and R. M. Nieminen. J. Phys. Condens. Matter 23, 422202 (2011). 10.1088/0953-8984/23/42/422202
26. J. Perdew, M. Ernzerhof, and K. Burke, J. Chem. Phys. 105, 9982 (1996). 10.1063/1.472933
27. C. W. M. Castleton, A. Höglund, and S. Mirbt, Phys. Rev. B 73, 035215 (2006). 10.1103/PhysRevB.73.035215
28. C. W. M. Castleton, A. Höglund, and S. Mirbt, Modell. Simul. Mater. Sci. Eng. 17, 084003 (2009). 10.1088/0965-0393/17/8/084003
29. L. E. Oikkonen, M. G. Ganchenkova, A. P. Seitsonen, and R. M. Nieminen, Phys. Rev. B 86, 165115 (2012). 10.1103/PhysRevB.86.165115
30. G. Henkelman and H. Jónsson, J. Chem. Phys. 113, 9978 (2000). 10.1063/1.1323224
31. W. Frank, U. Breier, C. Elsässer, and M. Fähnle, Phys. Rev. Lett. 77, 518 (1996). 10.1103/PhysRevLett.77.518
32. S. B. Zhang, S.-H. Wei, A. Zunger, and H. Katayama-Yoshida, Phys. Rev. B 57, 9642 (1998). 10.1103/PhysRevB.57.9642
33. S. Lany and A. Zunger, J. Appl. Phys. 100, 113725 (2006). 10.1063/1.2388256
34. S. Lany and A. Zunger, Phys. Rev. B 72, 035215 (2005). 10.1103/PhysRevB.72.035215
35. P. Migliorato, J. L. Shay, H. M. Kasper, and S. Wagner, J. Appl. Phys. 46, 1777 (1975). 10.1063/1.321782
36. C. Persson, Y. J. Zhao, S. Lany, and A. Zunger, Phys. Rev. B 72, 035211 (2005). 10.1103/PhysRevB.72.035211
37. K. V. Reddy, A. Murty, and A. P. Kumar, in Proceedings of Fourth International Symposium on Process Physics and Modelling in Semiconductor Technology (1996), Vol. 96, pp. 237-238.
38. S. Soltz, G. Dagan, and D. Cahen, Solid State Ionics 28-30, 1105 (1988). 10.1016/0167-2738(88)90339-6