Ab initio calculations of electronic and optical properties of BeO nanosheet

Electronic Materials Letters

Volumn 10, Issue 1, 2014, Pages 5-11

  Valedbagi, Sh ^a   Jalilian, J ^b   Elahi, S M ^a   Majidi, S ^c   Fathalian, A ^d   Dalouji, V ^d  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

^c ISLAMIC AZAD UNIVERSITY   (Iran)

^d RAZI UNIVERSITY   (Iran)

Author keywords

BeO nanosheet; density functional theory; electronic structure; optical property

Indexed keywords

APPROXIMATION ALGORITHMS; BERYLLIA; CALCULATIONS; ELECTRIC FIELDS; ELECTRIC LOSSES; ELECTRONIC STRUCTURE; NANOSHEETS; OPTICAL CONDUCTIVITY; OPTICAL PROPERTIES; POLARIZATION; REFRACTIVE INDEX; ZINC SULFIDE;

AB INITIO CALCULATIONS; ABSORPTION CO-EFFICIENT; ELECTRIC-FIELD-POLARIZATION; ELECTRONIC AND OPTICAL PROPERTIES; FULL POTENTIAL LINEAR AUGMENTED PLANE WAVES; LINEAR OPTICAL PROPERTIES; RANDOM PHASE APPROXIMATIONS; SEMICONDUCTOR PROPERTIES;

DENSITY FUNCTIONAL THEORY;

EID: 84893349566     PISSN: 17388090     EISSN: 20936788     Source Type: Journal    
DOI: 10.1007/s13391-013-3097-z     Document Type: Article

References (48)

1. K. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, Y. Zhang, S. V. Dubonos, I. V. Grigorieva, and A. A. Firsov, Science306, 666 (2004).
2. A. K. Geim and K. S. Novoselov, Nat. Mater. 6, 183 (2007).
3. Y. B. Zhang, Y. W. Tan, H. L. Stormer, and P. Kim, Nature438, 201 (2005).
4. S. V. Morozov, K. S. Novoselov, M. I. Katsnelson, F. Schedin, D. C. Elias, J. A. Jaszczak, and A. K. Geim, Phys. Rev. Lett. 100, 016602 (2008).
5. K. S. Novoselov, Z. Jiang, Y. Zhang, S. V. Morozov, H. L. Stormer, U. Zeitler, J. C. Maan, G. S. Boebinger, P. Kim, and A. K. Geim, Science315, 1379 (2007).
6. J. Zhou, Q. Wang, Q. Sun, and P. Jena, Appl. Phys. Lett. 98, 063108 (2011).
7. B. S. Pujari and D. G. Kanhere, J. Phys. Chem. C113, 21063 (2009).
8. H. Şahin, C. Ataca, and S. Ciraci, Appl. Phys. Lett. 95, 222510 (2009).
9. D. W. Boukhvalov, M. I. Katsnelson, and A. I. Lichtenstein, Phys. Rev. B77, 035427 (2008).
10. R. R. Nair, W. Ren, R. Jalil, I. Riaz, V. G. Kravets, L. Britnell, P. Blake, F. Schedin, A. S. Mayorov, S. Yuan, M. I. Katsnelson, H.-M. Cheng, W. Strupinski, L. G. Bulusheva, A. V. Okotrub, I. V. Grigorieva, A. N. Grigorenko, K. S. Novoselov, and A. K. Geim, Small6, 2877 (2010).
11. H. Şahin, M. Topsakal, and S. Ciraci, Phys. Rev. B83, 115432 (2011).
12. F. Withers, M. Dubois, and A. K. Savchenko, Phys. Rev. B82, 073403 (2010).
13. A. Rubio, J. L. Corkill, and M. L. Cohen, Phys. Rev. B49, 5081 (1994).
14. X. Blase, A. Rubio, S. G. Louie, and M. L. Cohen, Phys. Rev. B51, 6868 (1995).
15. C. H. Park and S. G. Louie, Nano Lett. 8, 2200 (2008).
16. Z. Zhang and W. Guo, Phys. Rev. B77, 075403 (2008).
17. L. Sun, Y. Li, Z. Li, Q. Li, Z. Zhou, Z. Chen, J. Yang, and J. G. Hou, J. Chem. Phys. 129, 174114 (2008).
18. A. R. Botello-Méndez, F. López-Uría, M. Terrones, and H. Terrones, Nano Lett. 8, 1562 (2008).
19. H. Li, J. Dai, J. Li, S. Zhang, J. Zhou, L. Zhang, W. Chu, D. Chen, H. Zhao, J. Yang, and Z. Wu, J. Phys. Chem. C114, 11390 (2010).
20. X. Zhang, Z. Liu, and S. Hark, Solid State Commun. 143, 317 (2007).
21. V. E. Henrich, Rep. Prog. Phys. 48, 1481 (1985).
22. V. E. Henrich and P. A. Cox, The Surface Science of Metal Oxides, p. 419, Cambridge University Press, Cambridge (1994).
23. H.-J. Freund, Angew. Chem. 109, 444 (1997).
24. B. Amrani, F. El Haj Hassan, and H. Akbarzadeh, J. Phys.: Condens. Matter19, 436216 (2007).
25. S. Duman, A. Sütlü, S. Bagci, H. M. Tütüncü, and G. P. Srivastava, J. Appl. Phys. 105, 033719 (2009).
26. A. L. Ivanovskii, I. R. Shein, Yu. N. Makurin, V. S. Kiiko, and M. A. Gorbunova, Inorg. Mater. 45, 223 (2009).
27. P. B. Sorokin, A. S. Fedorov, and L. A. Chernozatonski, Phys. Solid State48, 398 (2006).
28. G. Vidal-Valat, J. P. Vidal, K. Kurki-Suonio, and R. Kurki-Suonio, Acta Crystallogr. Sect. A43, 540 (1987).
29. B. Baumeier, P. Krüger, and J. Pollmann, J. Phys. Rev. B76, 085407 (2007).
30. C. L. Freeman, F. Claeyssens, N. L. Allan, and J. H. Harding, Phys. Rev. Lett. 96, 066102 (2006).
31. A. Continenza, R. M. Wentzcovitch, and A. J. Freeman, Phys. Rev. B41, 3540 (1990).
32. P. Hohenberg and W. Kohn, Phys. Rev. B136, 864 (1964).
33. K. Schwarz and P. Blaha, Comput. Mater. Sci. 28, 259 (2003).
34. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
35. W. Wu, P. Lu, Z. Zhang, and W. Guo, ACS Appl. Mater. Interfaces3, 4787 (2011).
36. A. H. Castro Neto, F. Guinea, N. M. R. Peres, K. S. Novoselov, and A. K. Geim, Rev. Mod. Phys. 81, 109 (2009).
37. A. Continenza, R. M. Wentzcovitch, and A. Freeman, J. Phys. Rev. B41, 3540 (1990).
38. A. Ijchanot, I. Baraille, C. Larrieu, and M. Chaillet, Phys. Rev. B52, 17480 (1995).
39. D. M. Roessler, W. C. Walker, and E. Loh, J. Phys. Chem. Solids30, 157 (1969).
40. T. Fujiwara and Y. Ishii, Quasicrystals, Elsevire, USA (2008).
41. K. B. Joshi, R. Jain, R. K. Pandya, B. L. Ahuja, and B. K. Sharma, J. Chem. Phys. 111, 163 (1999).
42. D. Groh, R. Pandey, Munima B. Sahariah, E. Amzallag, I. Baraille, and M. Rerat, J. Phy. Chem. Solids70, 789 (2009).
43. A. Fathalian, R. Moradian, and M. Shahrokhi, Solid State Comm. 156, 1 (2013).
44. F. Wooten, Optical Properties of Solids, p. 200, New York, Academic Press (1972).
45. G. G. Fuentes, Ewa Borowiak-Palen, T. Pichler, X. Liu, A. Graff, G. Behr, R. J. Kalenczuk, M. Knupfer, and J. Fink, Phy. Rev. B67, 035429 (2003).
46. A. Boukortt, S. Berrah, and R. Hayn, Physica B405, 763 (2010).
47. F. Kootstra, P. L. de Beoeij, and J. G. Sniders, Phys. Rev. B62, 7071 (2000).
48. S. D. Mo and W. Y. Ching, Phys. Rev. B51, 13023 (1995).