A first-principles approach to investigating the effects of Be, Mg and Zn on intrinsic n-type GaN systems
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The effects of p-type dopants on the structural and electronic properties of n-type intrinsic GaN systems were investigated using a first-principles approach. Nitrogen vacancies and oxygen substitutions were intentionally used to obtain an n-type intrinsic GaN system. The formation energy of the Be-doped n-type intrinsic GaN system based on nitrogen vacancies depended strongly on concentration, with a maximum energy difference of 4.87 eV. The incorporation of metallic cations (Be,Mg, and Zn) led to the formation of a p-type GaN system with desirable electronic properties that were attributed to charge transfer from partially occupied Ga-, N-, and O-s states to the p states of the metallic cations.
Abstract
The effects of p-type dopants on the structural and electronic properties of n-type intrinsic GaN systems were investigated using a first-principles approach. Nitrogen vacancies and oxygen substitutions were intentionally used to obtain an n-type intrinsic GaN system. The formation energy of the Be-doped n-type intrinsic GaN system based on nitrogen vacancies depended strongly on concentration, with a maximum energy difference of 4.87 eV. The incorporation of metallic cations (Be,Mg, and Zn) led to the formation of a p-type GaN system with desirable electronic properties that were attributed to charge transfer from partially occupied Ga-, N-, and O-s states to the p states of the metallic cations.
참고문헌 (29)
- S. Nakamura, , Jpn. J. Appl. Phys., 34, pp.797~799 (1995)
- H. Sakai, , Jpn. J. Appl. Phys., 34, pp.1429~1431 (1995)
- R.J. Molnar, , Appl. Phys. Lett., 66, pp.268~270 (1995)
- S. Nakamura, , Jpn. J. Appl. Phys., 35, pp.74~76 (1996)
- R.L. Aggarwal, , J. Appl. Phys., 79, pp.2148~2150 (1996)
- B.W. Lim, , App. Phys. Lett., 68, pp.3761~3762 (1996)
- F.A. Ponce, , Nature, 386, pp.351~359 (1997)
- S. Strite, , J. Vac. Sci. Technol. B, 10, pp.1237~1266 (1992)
- S.N.T. Mukai, , J. Phys. Cond. Mater, 13, pp.7089~7098 (2001)
- S. Nagahama, , Phys. Stat. Solidi. (a), 194, pp.423~427 (2002)
- T. Mukai, , Phys. Stat. Solidi. (a), 200, pp.52~57 (2003)
- M.A. Khan, , Jpn. J. Appl. Phys., 44, pp.7191~7206
- M. Razeghi, , J. Appl. Phys., 79, pp.7433~7473 (1996)
- C. Simbrunner, , Appl. Phys. Lett., 90 (2007)
- M.E. Zvanut, , J. Appl. Phys., 95, pp.1884~1887 (2004)
- C. Ronning, , Appl. Phys. Lett., 73, pp.1622~1624 (1998)
- C.Ronnng, , J. Nitride Semicond. Res., 4 (1999)
- W. Go¨tz, , Mater. Sci. Eng. B, 59, pp.211~217 (1999)
- C. Ronning, , Appl. Phys. Lett., 73, pp.1622~1624 (1998)
- T.S. Cheng, , J. Cryst. Growth, 166, pp.597~600 (1996)
- A. Salvador, , Appl. Phys. Lett., 69, pp.2692~2694 (1996)
- H. Amano, , Jpn. J. Appl. Phys. Part2, 28, pp.2112~2114 (1989)
- S. Nakamura, , Jpn. J. Appl. Phys., Part1, 31, pp.1258~1266 (1992)
- J. Neugebauer, , J. Appl. Phys., 85, pp.3003~3005 (1999)
- C.G. Van de Walle, , Phys. Rev. B, 63 (2001)
- H. Wang, , Phys. Rev. B, 63 (2001)
- P.E. Blochl, , Phys. Rev. B, 50 (1994)
- W. Kohn, , Phys. Rev., 140 (1965)
- G. Kresse, , Phys. Rev. B, 47, pp.558~ (1993)