메뉴 건너뛰기




Volumn 84, Issue 19, 2011, Pages

Influence of exchange and correlation on structural and electronic properties of AlN, GaN, and InN polytypes

Author keywords

[No Author keywords available]

Indexed keywords


EID: 82655185119     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.84.195105     Document Type: Article
Times cited : (110)

References (97)
  • 1
    • 0141990606 scopus 로고    scopus 로고
    • JAPIAU 0021-8979 10.1063/1.1600519
    • I. Vurgaftman and J. R. Meyer, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1600519 94, 3675 (2003).
    • (2003) J. Appl. Phys. , vol.94 , pp. 3675
    • Vurgaftman, I.1    Meyer, J.R.2
  • 5
    • 0000623941 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.45.10942
    • T. L. Tansley and R. J. Egan, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.45.10942 45, 10942 (1992).
    • (1992) Phys. Rev. B , vol.45 , pp. 10942
    • Tansley, T.L.1    Egan, R.J.2
  • 6
    • 67650711664 scopus 로고    scopus 로고
    • JAPIAU 0021-8979 10.1063/1.3155798
    • J. Wu, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.3155798 106, 011101 (2009).
    • (2009) J. Appl. Phys. , vol.106 , pp. 011101
    • Wu, J.1
  • 8
    • 0032516703 scopus 로고    scopus 로고
    • SCIEAS 0036-8075 10.1126/science.281.5379.956
    • S. Nakamura, Science SCIEAS 0036-8075 10.1126/science.281.5379.956 281, 956 (1998).
    • (1998) Science , vol.281 , pp. 956
    • Nakamura, S.1
  • 10
  • 15
    • 37149006439 scopus 로고    scopus 로고
    • Strain influence on valence-band ordering and excitons in ZnO: An ab initio study
    • DOI 10.1063/1.2825277
    • A. Schleife, C. Rödl, F. Fuchs, J. Furthmüller, and F. Bechstedt, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2825277 91, 241915 (2007). (Pubitemid 350261998)
    • (2007) Applied Physics Letters , vol.91 , Issue.24 , pp. 241915
    • Schleife, A.1    Rodl, C.2    Fuchs, F.3    Furthmuller, J.4    Bechstedt, F.5
  • 19
    • 10644250257 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.136.B864
    • P. Hohenberg and W. Kohn, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.136.B864 136, B864 (1964).
    • (1964) Phys. Rev. , vol.136 , pp. 864
    • Hohenberg, P.1    Kohn, W.2
  • 20
    • 0042113153 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
    • W. Kohn and L. J. Sham, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.140. A1133 140, A1133 (1965).
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 22
    • 0037109986 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.66.165117
    • R. Armiento and A. E. Mattsson, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.66.165117 66, 165117 (2002).
    • (2002) Phys. Rev. B , vol.66 , pp. 165117
    • Armiento, R.1    Mattsson, A.E.2
  • 24
    • 33846361964 scopus 로고
    • PNASA6 0027-8424 10.1073/pnas.30.9.244
    • F. D. Murnaghan, Proc. Nat. Acad. Sci. USA PNASA6 0027-8424 10.1073/pnas.30.9.244 30, 244 (1944)
    • (1944) Proc. Nat. Acad. Sci. USA , vol.30 , pp. 244
    • Murnaghan, F.D.1
  • 25
    • 82655189390 scopus 로고    scopus 로고
    • [http://www.pnas.org/content/30/9/244.short].
  • 26
    • 26144450583 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.23.5048
    • J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.23.5048 23, 5048 (1981).
    • (1981) Phys. Rev. B , vol.23 , pp. 5048
    • Perdew, J.P.1    Zunger, A.2
  • 27
    • 4243943295 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 28
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
    • G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996). (Pubitemid 126412269)
    • (1996) Computational Materials Science , vol.6 , Issue.1 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 29
    • 0011236321 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.59.1758
    • G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 30
    • 25744460922 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.50.17953
    • P. E. Blöchl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1
  • 31
    • 1842816907 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.13.5188
    • H. J. Monkhorst and J. D. Pack, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.13.5188 13, 5188 (1976).
    • (1976) Phys. Rev. B , vol.13 , pp. 5188
    • Monkhorst, H.J.1    Pack, J.D.2
  • 33
    • 0036057017 scopus 로고    scopus 로고
    • RMPHAT 0034-6861 10.1103/RevModPhys.74.601
    • G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.74.601 74, 601 (2002).
    • (2002) Rev. Mod. Phys. , vol.74 , pp. 601
    • Onida, G.1    Reining, L.2    Rubio, A.3
  • 34
    • 36149016819 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.139.A796
    • L. Hedin, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.139.A796 139, A796 (1965).
    • (1965) Phys. Rev. , vol.139 , pp. 796
    • Hedin, L.1
  • 35
    • 22144469121 scopus 로고
    • in edited by D. T. Frederick Seiz and H. Ehrenreich (Academic Press
    • L. Hedin and S. Lundqvist, in Advances in Research and Applications, Solid State Physics, Vol. 23, edited by, D. T. Frederick Seiz, and, H. Ehrenreich, (Academic Press, 1970), pp. 1-181.
    • (1970) Advances in Research and Applications , pp. 1-181
    • Hedin, L.1    Lundqvist, S.2
  • 37
    • 34347372420 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.75.235102
    • M. Shishkin and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.235102 75, 235102 (2007).
    • (2007) Phys. Rev. B , vol.75 , pp. 235102
    • Shishkin, M.1    Kresse, G.2
  • 39
    • 33744818476 scopus 로고    scopus 로고
    • Quasiparticle self-consistent GW theory
    • DOI 10.1103/PhysRevLett.96.226402
    • M. van Schilfgaarde, T. Kotani, and S. Faleev, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.226402 96, 226402 (2006). (Pubitemid 43839566)
    • (2006) Physical Review Letters , vol.96 , Issue.22 , pp. 226402
    • Van Schilfgaarde, M.1    Kotani, T.2    Faleev, S.3
  • 40
    • 21344438863 scopus 로고    scopus 로고
    • Combining GW calculations with exact-exchange density-functional theory: An analysis of valence-band photoemission for compound semiconductors
    • DOI 10.1088/1367-2630/7/1/126, PII S1367263005911257
    • P. Rinke, A. Qteish, J. Neugebauer, C. Freysoldt, and M. Scheffler, New J. Phys. NJOPFM 1367-2630 10.1088/1367-2630/7/1/126 7, 126 (2005). (Pubitemid 40906137)
    • (2005) New Journal of Physics , vol.7
    • Rinke, P.1    Qteish, A.2    Neugebauer, J.3    Freysoldt, C.4    Scheffler, M.5
  • 42
    • 33845518500 scopus 로고    scopus 로고
    • Influence of the exchange screening parameter on the performance of screened hybrid functionals
    • DOI 10.1063/1.2404663
    • A. V. Krukau, O. A. Vydrov, A. F. Izmaylov, and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2404663 125, 224106 (2006). (Pubitemid 44927407)
    • (2006) Journal of Chemical Physics , vol.125 , Issue.22 , pp. 224106
    • Krukau, A.V.1    Vydrov, O.A.2    Izmaylov, A.F.3    Scuseria, G.E.4
  • 44
    • 34547139312 scopus 로고    scopus 로고
    • Erratum: Hybrid functionals based on a screened Coulomb potential (Journal of Chemical Physics (2003) 118 (8207))
    • DOI 10.1063/1.2204597
    • J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2204597 124, 219906 (2006). (Pubitemid 43877849)
    • (2006) Journal of Chemical Physics , vol.124 , Issue.21 , pp. 219906
    • Heyd, J.1    Scuseria, G.E.2    Ernzerhof, M.3
  • 49
    • 3242884626 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1760074
    • J. Heyd and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1760074 121, 1187 (2004).
    • (2004) J. Chem. Phys. , vol.121 , pp. 1187
    • Heyd, J.1    Scuseria, G.E.2
  • 50
    • 0042745336 scopus 로고
    • Properties of Group III Nitrides, in
    • Properties of Group III Nitrides, in EMIS Datareviews Series, IEE INSPEC, Vol. 11, edited by J. H. Edgar (1994).
    • (1994) EMIS Datareviews Series
    • Edgar, J.H.1
  • 51
    • 16444373233 scopus 로고
    • JAPIAU 0021-8979 10.1063/1.347412
    • M. E. Sherwin and T. J. Drummond, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.347412 69, 8423 (1991).
    • (1991) J. Appl. Phys. , vol.69 , pp. 8423
    • Sherwin, M.E.1    Drummond, T.J.2
  • 53
    • 0000373316 scopus 로고
    • JAPIAU 0021-8979 10.1063/1.353435
    • Q. Xia, H. Xia, and A. L. Ruoff, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.353435 73, 8198 (1993).
    • (1993) J. Appl. Phys. , vol.73 , pp. 8198
    • Xia, Q.1    Xia, H.2    Ruoff, A.L.3
  • 54
    • 0017536236 scopus 로고
    • Crystal structure refinement of AlN and GaN
    • DOI 10.1016/0038-1098(77)90959-0
    • H. Schulz and K. H. Thiemann, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(77)90959-0 23, 815 (1977). (Pubitemid 8579065)
    • (1977) Solid State Communications , vol.23 , Issue.11 , pp. 815-819
    • Schulz Heinz1    Thiemann, K.H.2
  • 56
    • 0001755832 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.47.4215
    • A. García and M. L. Cohen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.47.4215 47, 4215 (1993).
    • (1993) Phys. Rev. B , vol.47 , pp. 4215
    • García, A.1    Cohen, M.L.2
  • 57
    • 35949006090 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.46.10086
    • C.-Y. Yeh, Z. W. Lu, S. Froyen, and A. Zunger, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.46.10086 46, 10086 (1992).
    • (1992) Phys. Rev. B , vol.46 , pp. 10086
    • Yeh, C.-Y.1    Lu, Z.W.2    Froyen, S.3    Zunger, A.4
  • 66
    • 33746363964 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.37.8958
    • S.-H. Wei and A. Zunger, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.37.8958 37, 8958 (1988).
    • (1988) Phys. Rev. B , vol.37 , pp. 8958
    • Wei, S.-H.1    Zunger, A.2
  • 67
    • 0141515420 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.68.073205
    • C. Persson and A. Zunger, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.68.073205 68, 073205 (2003).
    • (2003) Phys. Rev. B , vol.68 , pp. 073205
    • Persson, C.1    Zunger, A.2
  • 73
    • 0034298316 scopus 로고    scopus 로고
    • SSCOA4 0038-1098 10.1016/S0038-1098(00)00353-7
    • M. Cardona and N. E. Christensen, Solid State Commun. SSCOA4 0038-1098 10.1016/S0038-1098(00)00353-7 116, 421 (2000).
    • (2000) Solid State Commun. , vol.116 , pp. 421
    • Cardona, M.1    Christensen, N.E.2
  • 74
    • 0015761381 scopus 로고
    • ADNDAT 0092-640X 10.1016/0092-640X(73)90020-X
    • J. P. Desclaux, Atom. Data Nucl. Data ADNDAT 0092-640X 10.1016/0092-640X(73)90020-X 12, 311 (1973).
    • (1973) Atom. Data Nucl. Data , vol.12 , pp. 311
    • Desclaux, J.P.1
  • 75
  • 76
    • 0000070839 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.54.2491
    • S. L. Chuang and C. S. Chang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.2491 54, 2491 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 2491
    • Chuang, S.L.1    Chang, C.S.2
  • 77
    • 4243343522 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.100.580
    • G. Dresselhaus, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.100.580 100, 580 (1955).
    • (1955) Phys. Rev. , vol.100 , pp. 580
    • Dresselhaus, G.1
  • 79
    • 0004274117 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.43.4286
    • M. P. Surh, M.-F. Li, and S. G. Louie, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.43.4286 43, 4286 (1991).
    • (1991) Phys. Rev. B , vol.43 , pp. 4286
    • Surh, M.P.1    Li, M.-F.2    Louie, S.G.3
  • 82
    • 4944252819 scopus 로고    scopus 로고
    • APPLAB 0003-6951 10.1063/1.1787615
    • S. P. Fu and Y. F. Chen, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1787615 85, 1523 (2004).
    • (2004) Appl. Phys. Lett. , vol.85 , pp. 1523
    • Fu, S.P.1    Chen, Y.F.2
  • 83
    • 0035894433 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.64.245209
    • A. V. Rodina and B. K. Meyer, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.64.245209 64, 245209 (2001).
    • (2001) Phys. Rev. B , vol.64 , pp. 245209
    • Rodina, A.V.1    Meyer, B.K.2
  • 84
    • 20844449046 scopus 로고    scopus 로고
    • Momentum matrix element and conduction band nonparabolicity in wurtzite GaN
    • DOI 10.1063/1.1906313, 161908
    • S. Shokhovets, G. Gobsch, and O. Ambacher, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1906313 86, 161908 (2005). (Pubitemid 40861323)
    • (2005) Applied Physics Letters , vol.86 , Issue.16 , pp. 1-3
    • Shokhovets, S.1    Gobsch, G.2    Ambacher, O.3
  • 86
    • 0942291589 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.67.235205
    • D. Fritsch, H. Schmidt, and M. Grundmann, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.67.235205 67, 235205 (2003).
    • (2003) Phys. Rev. B , vol.67 , pp. 235205
    • Fritsch, D.1    Schmidt, H.2    Grundmann, M.3
  • 88
    • 42749106761 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.69.165204
    • D. Fritsch, H. Schmidt, and M. Grundmann, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.69.165204 69, 165204 (2004).
    • (2004) Phys. Rev. B , vol.69 , pp. 165204
    • Fritsch, D.1    Schmidt, H.2    Grundmann, M.3
  • 89
    • 0000054006 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.48.15144
    • M. Fanciulli, T. Lei, and T. D. Moustakas, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.48.15144 48, 15144 (1993).
    • (1993) Phys. Rev. B , vol.48 , pp. 15144
    • Fanciulli, M.1    Lei, T.2    Moustakas, T.D.3
  • 91
    • 0001345272 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.52.8132
    • M. Suzuki, T. Uenoyama, and A. Yanase, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.52.8132 52, 8132 (1995).
    • (1995) Phys. Rev. B , vol.52 , pp. 8132
    • Suzuki, M.1    Uenoyama, T.2    Yanase, A.3
  • 93
    • 0001217620 scopus 로고    scopus 로고
    • JAPIAU 0021-8979 10.1063/1.366847
    • Y. C. Yeo, T. C. Chong, and M. F. Li, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.366847 83, 1429 (1998).
    • (1998) J. Appl. Phys. , vol.83 , pp. 1429
    • Yeo, Y.C.1    Chong, T.C.2    Li, M.F.3
  • 96
    • 29744436876 scopus 로고    scopus 로고
    • Electronic band structure pseudopotential calculation of wurtzite III-nitride materials
    • DOI 10.1016/j.physb.2005.10.003, PII S0921452605011506
    • B. Rezaei, A. Asgari, and M. Kalafi, Physica B PHYBE3 0921-4526 10.1016/j.physb.2005.10.003 371, 107 (2006). (Pubitemid 43031410)
    • (2006) Physica B: Condensed Matter , vol.371 , Issue.1 , pp. 107-111
    • Rezaei, B.1    Asgari, A.2    Kalafi, M.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.