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Physical Review B - Condensed Matter and Materials Physics

Volumn 87, Issue 20, 2013, Pages

Role of screening in the density functional applied to transition-metal defects in semiconductors

(4) Ivády, Viktor a,b Abrikosov, I A a Janzen E a Gali, A b,c

a LINKÖPING UNIVERSITY (Sweden)

b INSTITUTE OF EXPERIMENTAL MEDICINE (Hungary)

c BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84877886868 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.87.205201 Document Type: Article

Times cited : (49)

References (44)

1
- 2342456342
- JAPIAU 0021-8979 10.1063/1.1682673
- C. G. V. 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
- De Walle, C.G.V.¹ Neugebauer, J.²

2
- 33744691386
- PRLTAO 0031-9007 10.1103/PhysRevLett.45.566
- D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
- (1980) Phys. Rev. Lett. , vol.45 , pp. 566
- Ceperley, D.M.¹ Alder, B.J.²

3
- 26144450583
- 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

4
- 0000620927
- PRBMDO 1098-0121 10.1103/PhysRevB.44.13298
- Y. Wang and J. P. Perdew, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.44.13298 44, 13298 (1991).
- (1991) Phys. Rev. B , vol.44 , pp. 13298
- Wang, Y.¹ Perdew, J.P.²

5
- 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

6
- 77955379972
- PRBMDO 1098-0121 10.1103/PhysRevB.81.153203
- P. Deák, B. Aradi, T. Frauenheim, E. Janzén, and A. Gali, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.153203 81, 153203 (2010).
- (2010) Phys. Rev. B , vol.81 , pp. 153203
- Deák, P.¹ Aradi, B.² Frauenheim, T.³ Janzén, E.⁴ Gali, A.⁵

7
- 70349472607
- PRBMDO 1098-0121 10.1103/PhysRevB.80.085202
- S. Lany and A. Zunger, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80. 085202 80, 085202 (2009).
- (2009) Phys. Rev. B , vol.80 , pp. 085202
- Lany, S.¹ Zunger, A.²

8
- 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

9
- 0043240783
- APPLAB 0003-6951 10.1063/1.1604461
- A. Gali, P. Deák, N. T. Son, and E. Janzén, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1604461 83, 1385 (2003).
- (2003) Appl. Phys. Lett. , vol.83 , pp. 1385
- Gali, A.¹ Deák, P.² Son, N.T.³ Janzén, E.⁴

10
- 28444476647
- Theoretical study of the mechanism of dry oxidation of 4H-SiC
- DOI 10.1103/PhysRevB.71.235321, 235321
- J. M. Knaup, P. Deák, T. Frauenheim, A. Gali, Z. Hajnal, and W. J. Choyke, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.71.235321 71, 235321 (2005). (Pubitemid 41721931)
- (2005) Physical Review B - Condensed Matter and Materials Physics , vol.71 , Issue.23 , pp. 1-9
- Knaup, J.M.¹ Deak, P.² Frauenheim, T.³ Gali, A.⁴ Hajnal, Z.⁵ Choyke, W.J.⁶

11
- 0242657501
- PRBMDO 1098-0121 10.1103/PhysRevB.68.125201
- A. Gali, P. Deák, P. Ordejón, N. T. Son, E. Janzén, and W. J. Choyke, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.68.125201 68, 125201 (2003).
- (2003) Phys. Rev. B , vol.68 , pp. 125201
- Gali, A.¹ Deák, P.² Ordejón, P.³ Son, N.T.⁴ Janzén, E.⁵ Choyke, W.J.⁶

12
- 29844450079
- Defects in SiO2 as the possible origin of near interface traps in the SiC SiO2 system: A systematic theoretical study
- DOI 10.1103/PhysRevB.72.115323, 115323
- J. M. Knaup, P. Deák, T. Frauenheim, A. Gali, Z. Hajnal, and W. J. Choyke, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.72.115323 72, 115323 (2005). (Pubitemid 43033174)
- (2005) Physical Review B - Condensed Matter and Materials Physics , vol.72 , Issue.11 , pp. 1-9
- Knaup, J.M.¹ Deak, P.² Frauenheim, Th.³ Gali, A.⁴ Hajnal, Z.⁵ Choyke, W.J.⁶

13
- 51149124316
- PRLTAO 0031-9007 10.1103/PhysRevLett.101.106802
- A. Alkauskas, P. Broqvist, F. Devynck, and A. Pasquarello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.101.106802 101, 106802 (2008).
- (2008) Phys. Rev. Lett. , vol.101 , pp. 106802
- Alkauskas, A.¹ Broqvist, P.² Devynck, F.³ Pasquarello, A.⁴

14
- 34547139150
- JCPSA6 0021-9606 10.1063/1.2187006
- J. Paier, M. Marsman, K. Hummer, G. Kresse, I. C. Gerber, and J. G. Ángyán, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2187006 124, 154709 (2006).
- (2006) J. Chem. Phys. , vol.124 , pp. 154709
- Paier, J.¹ Marsman, M.² Hummer, K.³ Kresse, G.⁴ Gerber, I.C.⁵ Ángyán, J.G.⁶

15
- 77957555115
- PRBMDO 1098-0121 10.1103/PhysRevB.82.075122
- V. L. Chevrier, S. P. Ong, R. Armiento, M. K. Y. Chan, and G. Ceder, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.075122 82, 075122 (2010).
- (2010) Phys. Rev. B , vol.82 , pp. 075122
- Chevrier, V.L.¹ Ong, S.P.² Armiento, R.³ Chan, M.K.Y.⁴ Ceder, G.⁵

16
- 77950179729
- 1549-9618 10.1021/ct9003993
- R. Leitsmann, F. Kuwen, C. Rodl, C. Panse, and F. Bechstedt, J. Chem. Theor. Comput. 1549-9618 10.1021/ct9003993 6, 353 (2010).
- (2010) J. Chem. Theor. Comput. , vol.6 , pp. 353
- Leitsmann, R.¹ Kuwen, F.² Rodl, C.³ Panse, C.⁴ Bechstedt, F.⁵

17
- 65649084193
- PRBMDO 1098-0121 10.1103/PhysRevB.79.201201
- A. Stroppa and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.201201 79, 201201 (2009).
- (2009) Phys. Rev. B , vol.79 , pp. 201201
- Stroppa, A.¹ Kresse, G.²

18
- 79957476861
- PRBMDO 1098-0121 10.1103/PhysRevB.83.085201
- A. Stroppa, G. Kresse, and A. Continenza, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.085201 83, 085201 (2011).
- (2011) Phys. Rev. B , vol.83 , pp. 085201
- Stroppa, A.¹ Kresse, G.² Continenza, A.³

19
- 77955742376
- PRBMDO 1098-0121 10.1103/PhysRevB.81.205209
- S. Lany and A. Zunger, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81. 205209 81, 205209 (2010).
- (2010) Phys. Rev. B , vol.81 , pp. 205209
- Lany, S.¹ Zunger, A.²

20
- 45749140048
- PRLTAO 0031-9007 10.1103/PhysRevLett.100.256401
- A. Walsh, J. L. F. Da Silva, and S.-H. Wei, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.256401 100, 256401 (2008).
- (2008) Phys. Rev. Lett. , vol.100 , pp. 256401
- Walsh, A.¹ Da Silva, J.L.F.² Wei, S.-H.³

21
- 77957698908
- PRBMDO 1098-0121 10.1103/PhysRevB.82.115121
- I. Dabo, A. Ferretti, N. Poilvert, Y. Li, N. Marzari, and M. Cococcioni, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.115121 82, 115121 (2010).
- (2010) Phys. Rev. B , vol.82 , pp. 115121
- Dabo, I.¹ Ferretti, A.² Poilvert, N.³ Li, Y.⁴ Marzari, N.⁵ Cococcioni, M.⁶

22
- 15444366598
- Linear response approach to the calculation of the effective interaction parameters in the LDA+U method
- DOI 10.1103/PhysRevB.71.035105, 035105
- M. Cococcioni and S. de Gironcoli, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.71.035105 71, 035105 (2005). (Pubitemid 40396386)
- (2005) Physical Review B - Condensed Matter and Materials Physics , vol.71 , Issue.3 , pp. 1-16
- Cococcioni, M.¹ De Gironcoli, S.²

23
- 67650525020
- edited by Lamdolt-Börnstein, Vol. 41 (Springer, Berlin
- M. Schulz, T. Dalibor, W. Martienssen, H. Landolt, and R. Börnstein, Impurities and Defects in Group IV Elements, IV-IV and III-V Compounds, edited by, Lamdolt-Börnstein, Vol. 41 (Springer, Berlin, 2003), Subvol. a,2.
- (2003) Impurities and Defects in Group IV Elements, IV-IV and III-V Compounds
- Schulz, M.¹ Dalibor, T.² Martienssen, W.³ Landolt, H.⁴ Börnstein, R.⁵

24
- 12544253013
- (Springer-Verlag, Berlin, Heidelberg
- Recent Major Advances in SiC, edited by W. J. Choyke, H. Matsunami, and G. Pensl (Springer-Verlag, Berlin, Heidelberg, 2004).
- (2004) Recent Major Advances in SiC
- Choyke, W.J.¹ Matsunami, H.² Pensl, G.³

25
- 79251585950
- 1662-9752 10.4028/www.scientific.net/MSF.615-617.405
- A. Gällström, B. Magnusson, and E. Janzén, Mater. Sci. Forum 1662-9752 10.4028/www.scientific.net/MSF.615-617.405 615-617, 405 (2009).
- (2009) Mater. Sci. Forum , vol.615-617 , pp. 405
- Gällström, A.¹ Magnusson, B.² Janzén, E.³

26
- 33846357058
- PRBMDO 1098-0121 10.1103/PhysRevB.74.235218
- M. S. Miao and W. R. L. Lambrecht, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74.235218 74, 235218 (2006).
- (2006) Phys. Rev. B , vol.74 , pp. 235218
- Miao, M.S.¹ Lambrecht, W.R.L.²

27
- 79954584863
- 0003-6951 10.1063/1.3579527
- F. C. Beyer, C. G. Hemmingsson, A. Gällström, S. Leone, H. Pedersen, A. Henry, and E. Janzén, Appl. Phys. Lett. 0003-6951 10.1063/1.3579527 98, 152104 (2011).
- (2011) Appl. Phys. Lett. , vol.98 , pp. 152104
- Beyer, F.C.¹ Hemmingsson, C.G.² Gällström, A.³ Leone, S.⁴ Pedersen, H.⁵ Henry, A.⁶ Janzén, E.⁷

28
- 80155137591
- PRLTAO 0031-9007 10.1103/PhysRevLett.107.195501
- V. Ivády, A. Gällström, N. T. Son, E. Janzén, and A. Gali, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.107.195501 107, 195501 (2011).
- (2011) Phys. Rev. Lett. , vol.107 , pp. 195501
- Ivády, V.¹ Gällström, A.² Son, N.T.³ Janzén, E.⁴ Gali, A.⁵

29
- 2442537377
- PRBMDO 1098-0121 10.1103/PhysRevB.54.11169
- G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.11169 54, 11169 (1996).
- (1996) Phys. Rev. B , vol.54 , pp. 11169
- Kresse, G.¹ Furthmüller, J.²

30
- 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

31
- 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

32
- 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

33
- 1842816907
- PRBMDO 1098-0121 10.1103/PhysRevB.13.5188
- H. J. Monkhorst and J. K. 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.K.²

34
- 0001486791
- PRBMDO 1098-0121 10.1103/PhysRevB.57.1505
- S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.57.1505 57, 1505 (1998).
- (1998) Phys. Rev. B , vol.57 , pp. 1505
- Dudarev, S.L.¹ Botton, G.A.² Savrasov, S.Y.³ Humphreys, C.J.⁴ Sutton, A.P.⁵

35
- 79551608206
- PRBMDO 1098-0121 10.1103/PhysRevB.83.035119
- M. A. L. Marques, J. Vidal, M. J. T. Oliveira, L. Reining, and S. Botti, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.035119 83, 035119 (2011).
- (2011) Phys. Rev. B , vol.83 , pp. 035119
- Marques, M.A.L.¹ Vidal, J.² Oliveira, M.J.T.³ Reining, L.⁴ Botti, S.⁵

36
- 79955578787
- PPCPFQ 1463-9076 10.1039/c0cp02562c
- D. O. Scanlon and G. W. Watson, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/c0cp02562c 13, 9667 (2011).
- (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 9667
- Scanlon, D.O.¹ Watson, G.W.²

37
- 84859258152
- PRBMDO 1098-0121 10.1103/PhysRevB.85.115129
- F. Iori, M. Gatti, and A. Rubio, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85.115129 85, 115129 (2012).
- (2012) Phys. Rev. B , vol.85 , pp. 115129
- Iori, F.¹ Gatti, M.² Rubio, A.³

38
- 0001437693
- PRBMDO 1098-0121 10.1103/PhysRevB.44.943
- V. I. Anisimov, J. Zaanen, and O. K. Andersen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.44.943 44, 943 (1991).
- (1991) Phys. Rev. B , vol.44 , pp. 943
- Anisimov, V.I.¹ Zaanen, J.² Andersen, O.K.³

39
- 35949006498
- PRBMDO 1098-0121 10.1103/PhysRevB.52.R5467
- A. I. Liechtenstein, V. I. Anisimov, and J. Zaanen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.52.R5467 52, R5467 (1995).
- (1995) Phys. Rev. B , vol.52 , pp. 5467
- Liechtenstein, A.I.¹ Anisimov, V.I.² Zaanen, J.³

40
- 33644900724
- Exact exchange for correlated electrons
- DOI 10.1002/pssb.200541371
- P. Novák, J. Kuneš, L. Chaput, and W. E. Pickett, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/pssb.200541371 243, 563 (2006). (Pubitemid 43382804)
- (2006) Physica Status Solidi (B) Basic Research , vol.243 , Issue.3 , pp. 563-572
- Novak, P.¹ Kunes, J.² Chaput, L.³ Pickett, W.E.⁴

41
- 33846442083
- PRBMDO 1098-0121 10.1103/PhysRevB.75.035109
- D. A. Andersson, S. I. Simak, B. Johansson, I. A. Abrikosov, and N. V. Skorodumova, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.035109 75, 035109 (2007).
- (2007) Phys. Rev. B , vol.75 , pp. 035109
- Andersson, D.A.¹ Simak, S.I.² Johansson, B.³ Abrikosov, I.A.⁴ Skorodumova, N.V.⁵

42
- 78649705594
- PRBMDO 1098-0121 10.1103/PhysRevB.82.184430
- B. Alling, T. Marten, and I. A. Abrikosov, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.184430 82, 184430 (2010).
- (2010) Phys. Rev. B , vol.82 , pp. 184430
- Alling, B.¹ Marten, T.² Abrikosov, I.A.³

43
- 12344253719
- Frequency-dependent local interactions and low-energy effective models from electronic structure calculations
- DOI 10.1103/PhysRevB.70.195104, 195104
- F. Aryasetiawan, M. Imada, A. Georges, G. Kotliar, S. Biermann, and A. I. Lichtenstein, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.70.195104 70, 195104 (2004). (Pubitemid 40139485)
- (2004) Physical Review B - Condensed Matter and Materials Physics , vol.70 , Issue.19 , pp. 1-8
- Aryasetiawan, F.¹ Imada, M.² Georges, A.³ Kotliar, G.⁴ Biermann, S.⁵ Lichtenstein, A.I.⁶

44
- 40849104936
- PRBMDO 1098-0121 10.1103/PhysRevB.77.085122
- T. Miyake and F. Aryasetiawan, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.085122 77, 085122 (2008).
- (2008) Phys. Rev. B , vol.77 , pp. 085122
- Miyake, T.¹ Aryasetiawan, F.²

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