Predicting suitable optoelectronic properties of monoclinic von semiconductor crystals for photovoltaics using accurate first-principles computations

Physical Chemistry Chemical Physics

Volumn 17, Issue 38, 2015, Pages 25244-25249

  Harb, Moussab ^a  

^a KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Saudi Arabia)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84942435680     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c5cp03924j     Document Type: Article

References (43)

1. A. Shah P. Torres R. Tscharner N. Wyrsch H. Keppner Science 1999 285 692 698
2. J. Nowotny C. Sorrell L. Sheppard T. Bak Int. J. Hydrogen Energy 2005 30 521 544
3. F. E. Osterloh Chem. Mater. 2008 20 35 54
4. M. Hernández-Alonso F. Fresno S. Suárez J. M. Coronado Energy Environ. Sci. 2009 2 1231 1257
5. A. Hadfeldt G. Boschloo L. Sun L. Kloo H. Pettersson Chem. Rev. 2010 110 6595 6663
6. R. R. Lunt T. P. Osedach P. R. Brown J. A. Rowehl V. Bulović Adv. Mater. 2011 23 5712 5727
7. O. Madelung, Semiconductors: Data Handbook, Springer, New York, 3rd edn, 2004
8. K. F. Young H. P. R. Frederikse J. Phys. Chem. Ref. Data 1973 2 313 409
9. I. Pelant and J. Valenta, Luminescence of Excitons. In Luminescence Spectroscopy of Semiconductors, Oxford University Press, Oxford, U.K., 2012
10. J. Zhang T. Ruf R. Lauck M. Cardona Phys. Rev. B: Condens. Matter Mater. Phys. 1998 57 9716 9722
11. T. Taguchi J. Shirafuji Y. Inuishi Phys. Status Solidi B 1975 68 727 738
12. M. A. Gilleo P. T. Bailey D. E. Hill Phys. Rev. 1968 174 898 905
13. I. Vurgaftman J. R. Meyer L. R. Ram-Mohan J. Appl. Phys. 2001 89 5815 5875
14. S. Adashi, GaAs and Related Materials, World Scientific Publishing Co. Pte. Ltd, Singapore, 1994
15. M. Harb P. Sautet P. Raybaud J. Phys. Chem. C 2011 115 19394 19404
16. M. Harb P. Sautet P. Raybaud J. Phys. Chem. C 2013 117 8892 8902
17. M. Harb J. Phys. Chem. C 2013 117 12942 12948
18. M. Harb J. Phys. Chem. C 2013 117 25229 25235
19. M. Harb D. Masih S. Ould-Chikh P. Sautet J.-M. Basset K. Takanabe J. Phys. Chem. C 2013 117 17477 17484
20. M. Harb D. Masih K. Takanabe Phys. Chem. Chem. Phys. 2014 16 18198 18204
21. M. Harb P. Sautet E. Nurlaela P. Raybaud L. Cavallo K. Domen J.-M. Basset K. Takanabe Phys. Chem. Chem. Phys. 2014 16 20548 20560
22. M. Harb L. Cavallo J.-M. Basset J. Phys. Chem. C 2014 118 20784 20790
23. M. Harb J. Phys. Chem. C 2015 119 4565 4572
24. T. Le Bahers M. Rérat P. Sautet J. Phys. Chem. C 2014 118 5997 6008
25. D. Armytage B. E. F. Fender Acta Crystallogr., Sect. B: Struct. Sci. 1974 30 809 812
26. H. Schilling A. Stork E. Irran H. Wolff T. Bredow R. Dronskowski M. Lerch Angew. Chem., Int. Ed. 2007 46 2931 2934
27. A. Neuhaus Chimia 1964 18 93 103
28. G. Kresse J. Hafner Phys. Rev. B: Condens. Matter Mater. Phys. 1994 49 14251 14269
29. G. Kresse J. Furthmüller Phys. Rev. B: Condens. Matter Mater. Phys. 1996 54 11169 11186
30. G. Kresse J. Furthmüller Comput. Mater. Sci. 1996 6 15 50
31. G. Kresse D. Joubert Phys. Rev. B: Condens. Matter Mater. Phys. 1999 59 1758 1775
32. J. P. Perdew K. Burke M. Ernzerhof Phys. Rev. Lett. 1996 77 3865 3868
33. P. E. Blöchl Phys. Rev. B: Condens. Matter Mater. Phys. 1994 50 17953 17979
34. H. J. Monkhorst J. D. Pack Phys. Rev. B: Solid State 1976 13 5188 5192
35. M. R. Hoffmann S. T. Martin W. Choi D. W. Bahnemann Chem. Rev. 1995 95 69 96
36. B. Delley J. Chem. Phys. 1990 92 508 517
37. J. Heyd G. E. Scuseria M. Ernzerhof J. Chem. Phys. 2003 118 8207 8215
38. S. Saha T. P. Sinha A. Mookerjee Phys. Rev. B: Condens. Matter Mater. Phys. 2000 62 8828 8834
39. M. Launay F. Boucher P. Moreau Phys. Rev. B: Condens. Matter Mater. Phys. 2004 69 035101
40. M. GajdoŠ K. Hummer G. Kresse J. Furthmüller F. Bechstedt Phys. Rev. B: Condens. Matter Mater. Phys. 2006 73 045112
41. I. Souza J. Iniguez D. Vanderbilt Phys. Rev. Lett. 2002 89 117602
42. A. Fonari and C. Sutton, Effective Mass Calculator for Semiconductors, http://afonari.com/emc/
43. A. Rodina M. Dietrich A. Göldner L. Eckey A. Hoffmann A. Efros M. Rosen B. Meyer Phys. Rev. B: Condens. Matter Mater. Phys. 2001 64 115204