First principles study of structural, electronic and vibrational properties of heavily boron-doped diamond

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 373, Issue 29, 2009, Pages 2494-2500

  Niu, Li ^a,b   Zhu, Jia Qi ^a   Han, Xiao ^a   Tan, Man Lin ^a   Gao, Wei ^c   Du, Shan Yi ^a  

^a HARBIN INSTITUTE OF TECHNOLOGY   (China)

^b HARBIN NORMAL UNIVERSITY   (China)

^c AVIC Manufacturing Technology Institute   (China)

Author keywords

Boron doped diamond; Electronic properties; First principles calculations; Raman spectroscopy; Structural stability

Indexed keywords

BORON; CALCULATIONS; DIAMONDS; ELECTRONIC PROPERTIES; LOCAL DENSITY APPROXIMATION; RAMAN SPECTROSCOPY; STABILITY; SUPERCONDUCTING TRANSITION TEMPERATURE;

BORON DOPED DIAMOND; ELECTRONIC CALCULATION; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; ISOTOPIC SUBSTITUTION; LINEAR-RESPONSE APPROACHES; STRUCTURAL STABILITIES; VIBRATIONAL PROPERTIES;

VIBRATION ANALYSIS;

EID: 67349245794     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2009.05.008     Document Type: Article

References (32)

1. Ekimov E.A., Sidorov V.A., Bauer E.D., Mel'nik N.N., Curro N.J., Thompson J.D., and Stishov S.M. Nature (London) 428 (2004) 542
2. Takano Y., Nagao M., Sakaguchi I., Tachiki M., Hatano T., Kobayashi K., Umezawa H., and Kawarada H. Appl. Phys. Lett. 85 (2004) 2851
3. Bustarret E., Kačmarčik J., Marcenat C., Gheeraert E., Cytermann C., Marcus J., and Klein T. Phys. Rev. Lett. 93 (2004) 237005
4. Wang Z.I., Luo Q., Liu L.W., Li C.Y., Yang H.X., Yang H.F., Li J.J., Lu X.Y., Jin Z.S., Lu L., and Gu C.Z. Diam. Relat. Mat. 15 (2006) 659
5. Umezawa H., Takenouchi T., Takano Y., Kobayashi K., Nagao M., Sakaguchi I., Tachiki M., Hatano T., Zhong G., Tachiki M., and Kawarada H. http://arxiv.org/abs/cond-mat/0503303
6. Winzer K., Bogdanov D., and Wild Ch. Physica C 432 (2005) 65
7. Ma Y., Tse J.S., Cui T., Klug D.D., Zhang L., Xie Y., Niu Y., and Zou G. Phys. Rev. B 72 (2005) 014306
8. Blase X., Adessi Ch., and Connétable D. Phys. Rev. Lett. 93 (2004) 237004
9. Xiang H.J., Li Z., Yang J., Hou J.G., and Zhu Q. Phys. Rev. B 70 (2004) 212504
10. Goss J.P., and Briddon P.R. Phys. Rev. B 73 (2006) 085204
11. Giustino F., Yates J.R., Souza I., Cohen M.L., and Louie S.G. Phys. Rev. Lett. 98 (2007) 047005
12. Bourgeois E., Bustarret E., Achatz P., Omnès F., and Blasé X. Phys. Rev. B 74 (2006) 094509
13. Long R., Dai Y., Guo M., Yu L., Huang B.B., Zhang R.Q., and Zhang W.J. Diam. Relat. Mat. 17 (2008) 234
14. Zhang R.J., Lee S.T., and Lam Y.W. Diam. Relat. Mater. 5 (1996) 1288
15. Ushizawa K., Watanabe K., Ando T., Sakaguchi I., Nishitani-Gamo M., Sato Y., and Kanda H. Diam. Relat. Mat. 7 (1998) 1719
16. Mavrin B.N., Denisov V.N., Popova D.M., Skryleva E.A., Kuznetsov M.S., Nosukhin S.A., Terentiev S.A., and Blank V.D. Phys. Lett. A 372 (2008) 3914
17. Bernard M., Baron C., and Deneuville A. Diam. Relat. Mat. 13 (2004) 896
18. Prawer S., and Nemanich R.J. Philos. Trans. R. Soc. London A 362 (2004) 2537
19. Mermoux M., Jomard F., Tavarès C., Omnès F., and Bustarret E. Diam. Relat. Mat. 15 (2006) 572
20. Vlasov I.I., Ekimov E.A., Basov A.A., Goovaerts E., and Zoteev A.V. http://arxiv.org/abs/0801.1611
21. Murnaghan F.D. Proc. Natl. Acad. Sci. USA 50 (1944) 697
22. Kaiser W., and Bond W.L. Phys. Rev. 115 (1959) 857
23. Baroni S., Dal Corso A., de Gironcoli S., and Giannozzi P. http://www.quantum-espresso.org
24. The "C. pz-vbc.UPF" and "B. pz-vbc.UPF" from the PWscf table (http://www.pwscf.org/pseudo.htm) were used for carbon and boron, respectively
25. Monkhorst H.J., and Pack J.D. Phys. Rev. B 13 (1976) 5188
26. Giannozzi P., de Gironcoli S., Pavone P., and Baroni S. Phys. Rev. B 43 (1991) 7231
27. Lazzeri M., and Mauri F. Phys. Rev. Lett. 90 (2003) 036401
28. Brazhkin V.V., Ekimov E.A., Lyapin A.G., Popova S.V., Rakhmanina A.V., Stishov S.M., Lebedev V.M., Katayama Y., and Kato K. Phys. Rev. B 74 (2006) 140502
29. Yokoya T., Nakamura T., Matsushita T., Muro T., Takana Y., Nagao M., Takenouchi T., Kawarada H., and Oguchi T. Nature (London) 438 (2005) 647
30. Bardeen J., Cooper L.N., and Schrieffer J.R. Phys. Rev. 108 (1957) 1175
31. Ager III J.W., Walukiewicz W., McCluskey M., Plano M.A., and Landstrass M.I. Appl. Phys. Lett. 66 (1995) 616
32. Ghodbane S., and Deneuville A. Diam. Relat. Mat. 15 (2006) 589