SCOPUS 정보 검색 플랫폼

Physical Review B - Condensed Matter and Materials Physics

Volumn 88, Issue 11, 2013, Pages

Correspondence of defect energy levels in hybrid density functional theory and many-body perturbation theory

(2) Chen, Wei a Pasquarello, Alfredo a

a EPFL (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84884879617 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.88.115104 Document Type: Article

Times cited : (87)

References (42)

1
- 78651286417
- PSSBBD 0370-1972 10.1002/pssb.201046195
- A. Alkauskas, P. Broqvist, and A. Pasquarello, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/pssb.201046195 248, 775 (2011).
- (2011) Phys. Status Solidi B , vol.248 , pp. 775
- Alkauskas, A.¹ Broqvist, P.² Pasquarello, A.³

2
- 48849087832
- PRLTAO 0031-9007 10.1103/PhysRevLett.101.046405
- A. Alkauskas, P. Broqvist, and A. Pasquarello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.101.046405 101, 046405 (2008).
- (2008) Phys. Rev. Lett. , vol.101 , pp. 046405
- Alkauskas, A.¹ Broqvist, P.² Pasquarello, A.³

3
- 41549157663
- PRBMDO 1098-0121 10.1103/PhysRevB.77.115123
- A. J. Cohen, P. Mori-Sánchez, and W. Yang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.115123 77, 115123 (2008).
- (2008) Phys. Rev. B , vol.77 , pp. 115123
- Cohen, A.J.¹ Mori-Sánchez, P.² Yang, W.³

4
- 80053911852
- PRBMDO 1098-0121 10.1103/PhysRevB.84.125206
- A. Alkauskas and A. Pasquarello, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.125206 84, 125206 (2011).
- (2011) Phys. Rev. B , vol.84 , pp. 125206
- Alkauskas, A.¹ Pasquarello, A.²

5
- 34249107377
- Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110)
- DOI 10.1103/PhysRevLett.97.226401
- M. Hedström, A. Schindlmayr, G. Schwarz, and M. Scheffler, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.226401 97, 226401 (2006); (Pubitemid 44826905)
- (2006) Physical Review Letters , vol.97 , Issue.22 , pp. 226401
- Hedstrom, M.¹ Schindlmayr, A.² Schwarz, G.³ Scheffler, M.⁴

6
- 59149099649
- PRLTAO 0031-9007 10.1103/PhysRevLett.102.026402
- P. Rinke, A. Janotti, M. Scheffler, and C. G. Van de Walle, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.102.026402 102, 026402 (2009).
- (2009) Phys. Rev. Lett. , vol.102 , pp. 026402
- Rinke, P.¹ Janotti, A.² Scheffler, M.³ Van De Walle, C.G.⁴

7
- 36149016819
- 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

8
- 25544479230
- PRBMDO 1098-0121 10.1103/PhysRevB.34.5390
- M. S. Hybertsen and S. G. Louie, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.34.5390 34, 5390 (1986).
- (1986) Phys. Rev. B , vol.34 , pp. 5390
- Hybertsen, M.S.¹ Louie, S.G.²

9
- 81455135560
- PRLTAO 0031-9007 10.1103/PhysRevLett.107.216803
- M. Jain, J. R. Chelikowsky, and S. G. Louie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.107.216803 107, 216803 (2011).
- (2011) Phys. Rev. Lett. , vol.107 , pp. 216803
- Jain, M.¹ Chelikowsky, J.R.² Louie, S.G.³

10
- 77249088714
- PRLTAO 0031-9007 10.1103/PhysRevLett.104.075502
- L. Martin-Samos, G. Roma, P. Rinke, and Y. Limoge, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.104.075502 104, 075502 (2010).
- (2010) Phys. Rev. Lett. , vol.104 , pp. 075502
- Martin-Samos, L.¹ Roma, G.² Rinke, P.³ Limoge, Y.⁴

11
- 77954991428
- PRBMDO 1098-0121 10.1103/PhysRevB.81.113201
- S. Lany and A. Zunger, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81. 113201 81, 113201 (2010).
- (2010) Phys. Rev. B , vol.81 , pp. 113201
- Lany, S.¹ Zunger, A.²

12
- 70350391614
- PRLTAO 0031-9007 10.1103/PhysRevLett.103.176403
- F. Bruneval, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.103. 176403 103, 176403 (2009).
- (2009) Phys. Rev. Lett. , vol.103 , pp. 176403
- Bruneval, F.¹

13
- 77954415420
- PRLTAO 0031-9007 10.1103/PhysRevLett.105.026401
- M. Bockstedte, A. Marini, O. Pankratov, and A. Rubio, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.105.026401 105, 026401 (2010).
- (2010) Phys. Rev. Lett. , vol.105 , pp. 026401
- Bockstedte, M.¹ Marini, A.² Pankratov, O.³ Rubio, A.⁴

14
- 33846096369
- 2: A consistent interpretation of trap assisted conduction, direct electron injection, and optical absorption experiments
- DOI 10.1063/1.2424441
- P. Broqvist and A. Pasquarello, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2424441 89, 262904 (2006). (Pubitemid 46058048)
- (2006) Applied Physics Letters , vol.89 , Issue.26 , pp. 262904
- Broqvist, P.¹ Pasquarello, A.²

15
- 84891576999
- Wiley, Weinheim
- Advanced Calculations for Defects in Materials, edited by A. Alkauskas, P. Deák, J. Neugebauer, A. Pasquarello, and C. G. Van de Walle (Wiley, Weinheim, 2011).
- (2011) Advanced Calculations for Defects in Materials
- Alkauskas, A.¹ Deák, P.² Neugebauer, J.³ Pasquarello, A.⁴ Van De Walle, C.G.⁵

16
- 4243943295
- 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

17
- 70349568754
- JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
- P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A. P. Seitsonen, A. Smogunov, P. Umari, and R. M. Wentzcovitch, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502 21, 395502 (2009).
- (2009) J. Phys.: Condens. Matter , vol.21 , pp. 395502
- Giannozzi, P.¹ Baroni, S.² Bonini, N.³ Calandra, M.⁴ Car, R.⁵ Cavazzoni, C.⁶ Ceresoli, D.⁷ Chiarotti, G.L.⁸ Cococcioni, M.⁹ Dabo, I.¹⁰ Dal Corso, A.¹¹ De Gironcoli, S.¹² Fabris, S.¹³ Fratesi, G.¹⁴ Gebauer, R.¹⁵ Gerstmann, U.¹⁶ Gougoussis, C.¹⁷ Kokalj, A.¹⁸ Lazzeri, M.¹⁹ Martin-Samos, L.²⁰ more..

18
- 0001322105
- JCPSA6 0021-9606 10.1063/1.472933
- J. P. Perdew, M. Ernzerhof, and K. Burke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.472933 105, 9982 (1996).
- (1996) J. Chem. Phys. , vol.105 , pp. 9982
- Perdew, J.P.¹ Ernzerhof, M.² Burke, K.³

19
- 0037799714
- JCPSA6 0021-9606 10.1063/1.1564060
- J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1564060 118, 8207 (2003);
- (2003) J. Chem. Phys. , vol.118 , pp. 8207
- Heyd, J.¹ Scuseria, G.E.² Ernzerhof, M.³

20
- 34547139312
- 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

21
- 77955760596
- PRBMDO 1098-0121 10.1103/PhysRevB.81.205118
- H.-P. Komsa, P. Broqvist, and A. Pasquarello, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.205118 81, 205118 (2010).
- (2010) Phys. Rev. B , vol.81 , pp. 205118
- Komsa, H.-P.¹ Broqvist, P.² Pasquarello, A.³

22
- 70349446173
- PRBMDO 1098-0121 10.1103/PhysRevB.80.085114
- P. Broqvist, A. Alkauskas, and A. Pasquarello, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.085114 80, 085114 (2009).
- (2009) Phys. Rev. B , vol.80 , pp. 085114
- Broqvist, P.¹ Alkauskas, A.² Pasquarello, A.³

23
- 2342456342
- JAPIAU 0021-8979 10.1063/1.1682673
- C. G. Van de Walle and J. Neugebauer, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1682673 95, 3851 (2004).
- (2004) J. Appl. Phys. , vol.95 , pp. 3851
- Van De Walle, C.G.¹ Neugebauer, J.²

24
- 84863833798
- PRBMDO 1098-0121 10.1103/PhysRevB.86.045112
- H.-P. Komsa, T. T. Rantala, and A. Pasquarello, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.86.045112 86, 045112 (2012).
- (2012) Phys. Rev. B , vol.86 , pp. 045112
- Komsa, H.-P.¹ Rantala, T.T.² Pasquarello, A.³

25
- 58849141743
- PRLTAO 0031-9007 10.1103/PhysRevLett.102.016402
- C. Freysoldt, J. Neugebauer, and C. G. Van de Walle, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.102.016402 102, 016402 (2009).
- (2009) Phys. Rev. Lett. , vol.102 , pp. 016402
- Freysoldt, C.¹ Neugebauer, J.² Van De Walle, C.G.³

26
- 78651294842
- PSSBBD 0370-1972 10.1002/pssb.201046289
- C. Freysoldt, J. Neugebauer, and C. G. Van de Walle, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/pssb.201046289 248, 1067 (2011).
- (2011) Phys. Status Solidi B , vol.248 , pp. 1067
- Freysoldt, C.¹ Neugebauer, J.² Van De Walle, C.G.³

27
- 0000934120
- JPSOAW 0022-3719 10.1088/0022-3719/18/5/005
- M. Leslie and M. J. Gillan, J. Phys. C: Solid State Phys. JPSOAW 0022-3719 10.1088/0022-3719/18/5/005 18, 973 (1985).
- (1985) J. Phys. C: Solid State Phys. , vol.18 , pp. 973
- Leslie, M.¹ Gillan, M.J.²

28
- 25744460922
- 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

29
- 70449533121
- CPHCBZ 0010-4655 10.1016/j.cpc.2009.07.007
- X. Gonze, B. Amadon, P.-M. Anglade, J.-M. Beuken, F. Bottin, P. Boulanger, F. Bruneval, D. Caliste, R. Caracas, M. Ct, T. Deutsch, L. Genovese, P. Ghosez, M. Giantomassi, S. Goedecker, D. Hamann, P. Hermet, F. Jollet, G. Jomard, S. Leroux, M. Mancini, S. Mazevet, M. Oliveira, G. Onida, Y. Pouillon, T. Rangel, G.-M. Rignanese, D. Sangalli, R. Shaltaf, M. Torrent, M. Verstraete, G. Zerah, and J. Zwanziger, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2009.07.007 180, 2582 (2009).
- (2009) Comput. Phys. Commun. , vol.180 , pp. 2582
- Gonze, X.¹ Amadon, B.² Anglade, P.-M.³ Beuken, J.-M.⁴ Bottin, F.⁵ Boulanger, P.⁶ Bruneval, F.⁷ Caliste, D.⁸ Caracas, R.⁹ Ct, M.¹⁰ Deutsch, T.¹¹ Genovese, L.¹² Ghosez, P.¹³ Giantomassi, M.¹⁴ Goedecker, S.¹⁵ Hamann, D.¹⁶ Hermet, P.¹⁷ Jollet, F.¹⁸ Jomard, G.¹⁹ Leroux, S.²⁰ more..

30
- 0009500590
- PRLTAO 0031-9007 10.1103/PhysRevLett.62.1169
- R. W. Godby and R. J. Needs, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.62.1169 62, 1169 (1989).
- (1989) Phys. Rev. Lett. , vol.62 , pp. 1169
- Godby, R.W.¹ Needs, R.J.²

31
- 79960982750
- PRBMDO 1098-0121 10.1103/PhysRevB.83.081101
- C. Friedrich, M. C. Müller, and S. Blügel, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.081101 83, 081101 (2011).
- (2011) Phys. Rev. B , vol.83 , pp. 081101
- Friedrich, C.¹ Müller, M.C.² Blügel, S.³

32
- 80052411042
- PRBMDO 1098-0121 10.1103/PhysRevB.84.075155
- S. E. Taylor and F. Bruneval, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.075155 84, 075155 (2011).
- (2011) Phys. Rev. B , vol.84 , pp. 075155
- Taylor, S.E.¹ Bruneval, F.²

33
- 41549160716
- PRBMDO 1098-0121 10.1103/PhysRevB.77.115139
- I. Dabo, B. Kozinsky, N. E. Singh-Miller, and N. Marzari, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.115139 77, 115139 (2008).
- (2008) Phys. Rev. B , vol.77 , pp. 115139
- Dabo, I.¹ Kozinsky, B.² Singh-Miller, N.E.³ Marzari, N.⁴

34
- 33244472623
- Managing the supercell approximation for charged defects in semiconductors: Finite-size scaling, charge correction factors, the band-gap problem, and the ab initio dielectric constant
- DOI 10.1103/PhysRevB.73.035215, 035215
- C. W. M. Castleton, A. Höglund, and S. Mirbt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.73.035215 73, 035215 (2006). (Pubitemid 43273418)
- (2006) Physical Review B - Condensed Matter and Materials Physics , vol.73 , Issue.3 , pp. 1-11
- Castleton, C.W.M.¹ Hoglund, A.² Mirbt, S.³

35
- 84858338687
- NIMBEU 0168-583X 10.1016/j.nimb.2011.12.052
- F. Bruneval, Nucl. Instrum. Methods Phys. Res., Sect. B NIMBEU 0168-583X 10.1016/j.nimb.2011.12.052 277, 77 (2012).
- (2012) Nucl. Instrum. Methods Phys. Res., Sect. B , vol.277 , pp. 77
- Bruneval, F.¹

36
- 41949121296
- Localization and delocalization errors in density functional theory and implications for band-gap prediction
- DOI 10.1103/PhysRevLett.100.146401
- P. Mori-Sánchez, A. J. Cohen, and W. Yang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.146401 100, 146401 (2008). (Pubitemid 351514277)
- (2008) Physical Review Letters , vol.100 , Issue.14 , pp. 146401
- Mori-Sanchez, P.¹ Cohen, A.J.² Yang, W.³

37
- 0014881499
- JAPIAU 0021-8979 10.1063/1.1658540
- M. R. Mayhugh, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1658540 41, 4776 (1970).
- (1970) J. Appl. Phys. , vol.41 , pp. 4776
- Mayhugh, M.R.¹

38
- 18844417130
- Ionization potentials and electron affinities in the Perdew-Zunger self-interaction corrected density-functional theory
- DOI 10.1063/1.1897378, 184107
- O. A. Vydrov and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1897378 122, 184107 (2005). (Pubitemid 40682797)
- (2005) Journal of Chemical Physics , vol.122 , Issue.18 , pp. 1-7
- Vydrov, O.A.¹ Scuseria, G.E.²

39
- 84872168134
- 1549-9618 10.1021/ct300835h
- F. Bruneval and M. A. L. Marques, J. Chem. Theory Comput. 1549-9618 10.1021/ct300835h 9, 324 (2013).
- (2013) J. Chem. Theory Comput. , vol.9 , pp. 324
- Bruneval, F.¹ Marques, M.A.L.²

40
- 84883425339
- PRBMDO 1098-0121 10.1103/PhysRevB.88.075105
- F. Caruso, P. Rinke, X. Ren, A. Rubio, and M. Scheffler, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.88.075105 88, 075105 (2013).
- (2013) Phys. Rev. B , vol.88 , pp. 075105
- Caruso, F.¹ Rinke, P.² Ren, X.³ Rubio, A.⁴ Scheffler, M.⁵

41
- 84864590839
- PRBMDO 1098-0121 10.1103/PhysRevB.86.035134
- W. Chen and A. Pasquarello, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.86.035134 86, 035134 (2012).
- (2012) Phys. Rev. B , vol.86 , pp. 035134
- Chen, W.¹ Pasquarello, A.²

42
- 0036057017
- 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

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.