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1.
1. J. R. Söderström, D. H. Chow, and T. C. McGill, Appl. Phys. Lett. 55(11), 10941096 (1989).
http://dx.doi.org/10.1063/1.101715
2.
2. E. Schroten, A. Goossens, and J. Schoonman, J. Appl. Phys. 83(3), 16601663 (1998).
http://dx.doi.org/10.1063/1.366881
3.
3. A. Zaoui and F. E. H. Hassan, J. Phys.: Condens. Matter 13(2), 253 (2001).
http://dx.doi.org/10.1088/0953-8984/13/2/303
4.
4. A. Šimůnek and J. Vackář, Phys. Rev. Lett. 96(8), 085501 (2006).
http://dx.doi.org/10.1103/PhysRevLett.96.085501
5.
5. Z. Y. Jiao, S. H. Ma, and Y. L. Guo, Comput. Theor. Chem. 970(1–3), 7984 (2011).
http://dx.doi.org/10.1016/j.comptc.2011.05.030
6.
6. R. Ahmed, A. Fazal e, S. J. Hashemifar, and H. Akbarzadeh, Physica B 403(10–11), 18761881 (2008).
http://dx.doi.org/10.1016/j.physb.2007.10.342
7.
7. R. M. Wentzcovitch, M. L. Cohen, and P. K. Lam, Phys. Rev. B 36(11), 60586068 (1987).
http://dx.doi.org/10.1103/PhysRevB.36.6058
8.
8. O. Arbouche, B. Belgoumène, B. Soudini, Y. Azzaz, H. Bendaoud, and K. Amara, Comput. Mater. Sci. 47(3), 685692 (2010).
http://dx.doi.org/10.1016/j.commatsci.2009.10.009
9.
9. M. Causà, R. Dovesi, and C. Roetti, Phys. Rev. B 43(14), 1193711943 (1991).
http://dx.doi.org/10.1103/PhysRevB.43.11937
10.
10. B. K. Agrawal, P. S. Yadav, S. Kumar, and S. Agrawal, Phys. Rev. B 52(7), 48964903 (1995).
http://dx.doi.org/10.1103/PhysRevB.52.4896
11.
11. S. Kalvoda, B. Paulus, P. Fulde, and H. Stoll, Phys. Rev. B 55(7), 40274030 (1997).
http://dx.doi.org/10.1103/PhysRevB.55.4027
12.
12. S. Q. Wang and H. Q. Ye, J. Phys.: Condens. Matter 14(41), 9579 (2002).
http://dx.doi.org/10.1088/0953-8984/14/41/313
13.
13. F. E. H. Hassan, H. Akbarzadeh, and M. Zoaeter, J. Phys.: Condens. Matter 16(3), 293 (2004).
http://dx.doi.org/10.1088/0953-8984/16/3/009
14.
14. L. Huang, X. Wang, and B. Ao, J. Phys.: Condens. Matter 16(43), 7829 (2004).
http://dx.doi.org/10.1088/0953-8984/16/43/022
15.
15. D. Touat, M. Ferhat, and A. Zaoui, J. Phys.: Condens. Matter 18(15), 3647 (2006).
http://dx.doi.org/10.1088/0953-8984/18/15/011
16.
16. L. Lin, G. T. Woods, and T. A. Callcott, Phys. Rev. B 63(23), 235107 (2001).
http://dx.doi.org/10.1103/PhysRevB.63.235107
17.
17. P. Carrier and S.-H. Wei, Phys. Rev. B 70(3), 035212 (2004).
http://dx.doi.org/10.1103/PhysRevB.70.035212
18.
18. C. B. Geller, W. Wolf, S. Picozzi, A. Continenza, R. Asahi, W. Mannstadt, A. J. Freeman, and E. Wimmer, Appl. Phys. Lett. 79(3), 368370 (2001).
http://dx.doi.org/10.1063/1.1383282
19.
19. I. Vurgaftman, J. R. Meyer, and L. R. Ram-Mohan, J. Appl. Phys. 89(11), 58155875 (2001).
http://dx.doi.org/10.1063/1.1368156
20.
20. I. N. Remediakis and E. Kaxiras, Phys. Rev. B 59(8), 55365543 (1999).
http://dx.doi.org/10.1103/PhysRevB.59.5536
21.
21. O. A. Golikova, Phys. Status Solidi A 51(1), 1140 (1979).
http://dx.doi.org/10.1002/pssa.2210510102
22.
22. S. Cui, W. Feng, H. Hu, Z. Feng, and Y. Wang, Comput. Mater. Sci. 44(4), 13861389 (2009).
http://dx.doi.org/10.1016/j.commatsci.2008.09.009
23.
23. O. Madelung, Semiconductors: Data Handbook, 3rd ed. ( Springer, 2004).
24.
24. R. M. Wentzcovitch and M. L. Cohen, J. Phys. C 19(34), 6791 (1986).
http://dx.doi.org/10.1088/0022-3719/19/34/016
25.
25. B. Bouhafs, H. Aourag, and M. Certier, J. Phys.: Condens. Matter 12(26), 5655 (2000).
http://dx.doi.org/10.1088/0953-8984/12/26/312
26.
26. R. J. Archer, R. Y. Koyama, E. E. Loebner, and R. C. Lucas, Phys. Rev. Lett. 12(19), 538540 (1964).
http://dx.doi.org/10.1103/PhysRevLett.12.538
27.
27. P. Manca, J. Phys. Chem. Solids 20(3–4), 268273 (1961).
http://dx.doi.org/10.1016/0022-3697(61)90013-0
28.
28. N. Sclar, J. Appl. Phys. 33(10), 29993002 (1962).
http://dx.doi.org/10.1063/1.1728552
29.
29. P. Rodríguez-Hernández, M. González-Diaz, and A. Muñoz, Phys. Rev. B 51(20), 1470514708 (1995).
http://dx.doi.org/10.1103/PhysRevB.51.14705
30.
30. R. M. Wentzcovitch, K. J. Chang, and M. L. Cohen, Phys. Rev. B 34(2), 10711079 (1986).
http://dx.doi.org/10.1103/PhysRevB.34.1071
31.
31. W. R. L. Lambrecht and B. Segall, Phys. Rev. B 43(9), 70707085 (1991).
http://dx.doi.org/10.1103/PhysRevB.43.7070
32.
32. B. Stone and D. Hill, Phys. Rev. Lett. 4(6), 282284 (1960).
http://dx.doi.org/10.1103/PhysRevLett.4.282
33.
33. R. S. Mulliken, J. Phys. Chem. 44(6), 827828 (1940).
http://dx.doi.org/10.1021/j150402a016
34.
34. A. L. H. L. A. DuBridge, Photoelectric Phenomena ( McGraw-Hill Book Company Inc, New York, 1932).
35.
35. V. A. Fomichev, I. I. Zhukova, and I. K. Polushina, J. Phys. Chem. Solids 29(6), 10251032 (1968).
http://dx.doi.org/10.1016/0022-3697(68)90238-2
36.
36. S. Dalui, S. Hussain, S. Varma, D. Paramanik, and A. K. Pal, Thin Solid Films 516(15), 49584965 (2008).
http://dx.doi.org/10.1016/j.tsf.2007.09.047
37.
37. L. A. Hemstreet and C. Y. Fong, Phys. Rev. B 6(4), 14641480 (1972).
http://dx.doi.org/10.1103/PhysRevB.6.1464
38.
38. R. Mohammad and Ş. Katırcıoğlu, J. Alloys Comps. 485(1–2), 687694 (2009).
http://dx.doi.org/10.1016/j.jallcom.2009.06.042
39.
39. D. J. Stukel, Phys. Rev. B 1(12), 47914797 (1970).
http://dx.doi.org/10.1103/PhysRevB.1.4791
40.
40. C. Herring, Phys. Rev. 57(12), 11691177 (1940).
http://dx.doi.org/10.1103/PhysRev.57.1169
41.
41. R. N. Euwema, T. C. Collins, D. G. Shankland, and J. S. DeWitt, Phys. Rev. 162(3), 710715 (1967).
http://dx.doi.org/10.1103/PhysRev.162.710
42.
42. D. J. Stukel, R. N. Euwema, T. C. Collins, F. Herman, and R. L. Kortum, Phys. Rev. 179(3), 740751 (1969).
http://dx.doi.org/10.1103/PhysRev.179.740
43.
43. M. P. Surh, S. G. Louie, and M. L. Cohen, Phys. Rev. B 43(11), 91269132 (1991).
http://dx.doi.org/10.1103/PhysRevB.43.9126
44.
44. M. Benkraouda and N. Amrane, J. Alloys Compd. 546(0), 151156 (2013).
http://dx.doi.org/10.1016/j.jallcom.2012.08.055
45.
45. A. Abdiche, R. Baghdad, R. Khenata, R. Riane, Y. Al-Douri, M. Guemou, and S. Bin-Omran, Physica B 407(3), 426432 (2012).
http://dx.doi.org/10.1016/j.physb.2011.10.056
46.
46. M. Merabet, D. Rached, R. Khenata, S. Benalia, B. Abidri, N. Bettahar, and S. Bin Omran, Physica B 406(17), 32473255 (2011).
http://dx.doi.org/10.1016/j.physb.2011.05.034
47.
47. F. El Haj Hassan and H. Akbarzadeh, Mater. Sci. Eng., B 121(1–2), 170177 (2005).
http://dx.doi.org/10.1016/j.mseb.2005.03.019
48.
48. A. Zaoui, S. Kacimi, A. Yakoubi, B. Abbar, and B. Bouhafs, Physica B 367(1–4), 195204 (2005).
http://dx.doi.org/10.1016/j.physb.2005.06.018
49.
49. D. Bagayoko, G. L. Zhao, J. D. Fan, and J. T. Wang, J. Phys.: Condens. Matter 10(25), 5645 (1998).
http://dx.doi.org/10.1088/0953-8984/10/25/014
50.
50. D. Bagayoko, L. Franklin, and G. L. Zhao, J. Appl. Phys. 96(8), 42974301 (2004).
http://dx.doi.org/10.1063/1.1790064
51.
51. D. Bagayoko and L. Franklin, J. Appl. Phys. 97(12), 123708 (2005).
http://dx.doi.org/10.1063/1.1939069
52.
52. H. Jin, G. L. Zhao, and D. Bagayoko, J. Appl. Phys. 101(3), 033123 (2007).
http://dx.doi.org/10.1063/1.2435802
53.
53. D. Bagayoko, L. Franklin, G. L. Zhao, and H. Jin, J. Appl. Phys. 103(9), 096101 (2008).
http://dx.doi.org/10.1063/1.2908179
54.
54. C. E. Ekuma, D. Bagayoko, M. Jarrell, and J. Moreno, AIP Adv. 2(3), 032163 (2012).
http://dx.doi.org/10.1063/1.4751260
55.
55. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45(7), 566569 (1980).
http://dx.doi.org/10.1103/PhysRevLett.45.566
56.
56. S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 58(8), 12001211 (1980).
http://dx.doi.org/10.1139/p80-159
57.
57. L. Franklin, C. E. Ekuma, G. L. Zhao, and D. Bagayoko, J. Phys. Chem. Solids 74(5), 729736 (2013).
http://dx.doi.org/10.1016/j.jpcs.2013.01.013
58.
58. P. J. Feibelman, J. A. Appelbaum, and D. R. Hamann, Phys. Rev. B 20(4), 14331443 (1979).
http://dx.doi.org/10.1103/PhysRevB.20.1433
59.
59. B. N. Harmon, W. Weber, and D. R. Hamann, Phys. Rev. B 25(2), 11091115 (1982).
http://dx.doi.org/10.1103/PhysRevB.25.1109
60.
60. D. Bagayoko, Int. J. Quantum Chem. 24(S17), 527535 (1983).
http://dx.doi.org/10.1002/qua.560240857
61.
61. G. A. Slack and S. F. Bartram, J. Appl. Phys. 46(1), 8998 (1975).
http://dx.doi.org/10.1063/1.321373
62.
62. J. A. Van Vechten, Phys. Rev. 187(3), 10071020 (1969).
http://dx.doi.org/10.1103/PhysRev.187.1007
63.
63. R. M. Wentzcovitch, S. L. Richardson, and M. L. Cohen, Phys. Lett. A 114(4), 203206 (1986).
http://dx.doi.org/10.1016/0375-9601(86)90207-0
64.
64. F. D. Murnaghan, Proc. Natl. Acad. Sci. U.S.A. 30(9), 244247 (1944).
http://dx.doi.org/10.1073/pnas.30.9.244
65.
65. M. L. Cohen, Phys. Rev. B 32(12), 79887991 (1985).
http://dx.doi.org/10.1103/PhysRevB.32.7988
66.
66. P. Hohenberg and W. Kohn, Phys. Rev. 136(3B), B864B871 (1964).
http://dx.doi.org/10.1103/PhysRev.136.B864
67.
67. W. Kohn and L. J. Sham, Phys. Rev. 140(4A), A1133A1138 (1965).
http://dx.doi.org/10.1103/PhysRev.140.A1133
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/content/aip/journal/jap/116/10/10.1063/1.4894692
2014-09-12
2016-09-29

Abstract

We present results from , self-consistent density functional theory calculations of electronic and related properties of boron phosphide (zb-BP). We employed a local density approximation potential and implemented the linear combination of atomic orbitals formalism. This technique follows the Bagayoko, Zhao, and Williams method, as enhanced by the work of Ekuma and Franklin. The results include electronic energy bands, densities of states, and effective masses. The calculated band gap of 2.02 eV, for the room temperature lattice constant of a = 4.5383 Å, is in excellent agreement with the experimental value of 2.02 ± 0.05 eV. Our result for the bulk modulus, 155.7 GPa, agrees with experiment (152–155 GPa). Our predictions for the equilibrium lattice constant and the corresponding band gap, for very low temperatures, are 4.5269 Å and 2.01 eV, respectively.

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