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Physical Review B

Volumn 93, Issue 3, 2016, Pages

Hubbard-U corrected Hamiltonians for non-self-consistent random-phase approximation total-energy calculations: A study of ZnS, TiO2, and NiO

(2) Patrick, Christopher E a Thygesen, Kristian S a

a TECHNICAL UNIVERSITY OF DENMARK (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 85000405967 PISSN: 24699950 EISSN: 24699969 Source Type: Journal
DOI: 10.1103/PhysRevB.93.035133 Document Type: Article

Times cited : (22)

References (95)

1
- 0006483573
- B. O'Regan and M. Grätzel, Nature (London) 353, 737 (1991). NATUAS 0028-0836 10.1038/353737a0
- (1991) Nature (London) , vol.353 , pp. 737
- O'Regan, B.¹ Grätzel, M.²

2
- 35348875044
- A. Fujishima and K. Honda, Nature (London) 238, 37 (1972). NATUAS 0028-0836 10.1038/238037a0
- (1972) Nature (London) , vol.238 , pp. 37
- Fujishima, A.¹ Honda, K.²

3
- 0031206673
- R. H. Kodama, S. A. Makhlouf, and A. E. Berkowitz, Phys. Rev. Lett. 79, 1393 (1997). PRLTAO 0031-9007 10.1103/PhysRevLett.79.1393
- (1997) Phys. Rev. Lett. , vol.79 , pp. 1393
- Kodama, R.H.¹ Makhlouf, S.A.² Berkowitz, A.E.³

4
- 0012392952
- M. Bruchez, M. Moronne, P. Gin, S. Weiss, and A. P. Alivisatos, Science 281, 2013 (1998). 10.1126/science.281.5385.2013
- (1998) Science , vol.281 , pp. 2013
- Bruchez, M.¹ Moronne, M.² Gin, P.³ Weiss, S.⁴ Alivisatos, A.P.⁵

5
- 10644250257
- P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). PHRVAO 0031-899X 10.1103/PhysRev.136.B864
- (1964) Phys. Rev. , vol.136 , pp. B864
- Hohenberg, P.¹ Kohn, W.²

6
- 0012842779
- V. I. Anisimov, F. Aryasetiawan, and A. I. Lichtenstein, J. Phys.: Condens. Matter 9, 767 (1997). JCOMEL 0953-8984 10.1088/0953-8984/9/4/002
- (1997) J. Phys.: Condens. Matter , vol.9 , pp. 767
- Anisimov, V.I.¹ Aryasetiawan, F.² Lichtenstein, A.I.³

7
- 0001437693
- V. I. Anisimov, J. Zaanen, and O. K. Andersen, Phys. Rev. B 44, 943 (1991). PRBMDO 0163-1829 10.1103/PhysRevB.44.943
- (1991) Phys. Rev. B , vol.44 , pp. 943
- Anisimov, V.I.¹ Zaanen, J.² Andersen, O.K.³

8
- 0000538260
- W. E. Pickett, S. C. Erwin, and E. C. Ethridge, Phys. Rev. B 58, 1201 (1998). PRBMDO 0163-1829 10.1103/PhysRevB.58.1201
- (1998) Phys. Rev. B , vol.58 , pp. 1201
- Pickett, W.E.¹ Erwin, S.C.² Ethridge, E.C.³

9
- 0001486791
- S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B 57, 1505 (1998). PRBMDO 0163-1829 10.1103/PhysRevB.57.1505
- (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

10
- 77956698790
- H. Jiang, R. I. Gomez-Abal, P. Rinke, and M. Scheffler, Phys. Rev. B 82, 045108 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.82.045108
- (2010) Phys. Rev. B , vol.82 , pp. 045108
- Jiang, H.¹ Gomez-Abal, R.I.² Rinke, P.³ Scheffler, M.⁴

11
- 15444366598
- M. Cococcioni and S. de Gironcoli, Phys. Rev. B 71, 035105 (2005). PRBMDO 1098-0121 10.1103/PhysRevB.71.035105
- (2005) Phys. Rev. B , vol.71 , pp. 035105
- Cococcioni, M.¹ De Gironcoli, S.²

12
- 84875784267
- X. Ren, P. Rinke, C. Joas, and M. Scheffler, J. Mater. Sci. 47, 7447 (2012). JMTSAS 0022-2461 10.1007/s10853-012-6570-4
- (2012) J. Mater. Sci. , vol.47 , pp. 7447
- Ren, X.¹ Rinke, P.² Joas, C.³ Scheffler, M.⁴

13
- 84855574249
- H. Eshuis, J. E. Bates, and F. Furche, Theor. Chem. Acc. 131, 1084 (2012). TCACFW 1432-881X 10.1007/s00214-011-1084-8
- (2012) Theor. Chem. Acc. , vol.131 , pp. 1084
- Eshuis, H.¹ Bates, J.E.² Furche, F.³

14
- 84892413895
- J. Yan and J. K. Nørskov, Phys. Rev. B 88, 245204 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.88.245204
- (2013) Phys. Rev. B , vol.88 , pp. 245204
- Yan, J.¹ Nørskov, J.K.²

15
- 84942474393
- T. S. Jauho, T. Olsen, T. Bligaard, and K. S. Thygesen, Phys. Rev. B 92, 115140 (2015). PRBMDO 1098-0121 10.1103/PhysRevB.92.115140
- (2015) Phys. Rev. B , vol.92 , pp. 115140
- Jauho, T.S.¹ Olsen, T.² Bligaard, T.³ Thygesen, K.S.⁴

16
- 84878552476
- H. Peng and S. Lany, Phys. Rev. B 87, 174113 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.174113
- (2013) Phys. Rev. B , vol.87 , pp. 174113
- Peng, H.¹ Lany, S.²

17
- 84874527119
- J. Yan, J. S. Hummelshøj, and J. K. Nørskov, Phys. Rev. B 87, 075207 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.075207
- (2013) Phys. Rev. B , vol.87 , pp. 075207
- Yan, J.¹ Hummelshøj, J.S.² Nørskov, J.K.³

18
- 77956062988
- L. Schimka, J. Harl, A. Stroppa, A. Grüneis, M. Marsman, F. Mittendorfer, and G. Kresse, Nat. Mater. 9, 741 (2010). 1476-1122 10.1038/nmat2806
- (2010) Nat. Mater. , vol.9 , pp. 741
- Schimka, L.¹ Harl, J.² Stroppa, A.³ Grüneis, A.⁴ Marsman, M.⁵ Mittendorfer, F.⁶ Kresse, G.⁷

19
- 80053479878
- T. Olsen, J. Yan, J. J. Mortensen, and K. S. Thygesen, Phys. Rev. Lett. 107, 156401 (2011). PRLTAO 0031-9007 10.1103/PhysRevLett.107.156401
- (2011) Phys. Rev. Lett. , vol.107 , pp. 156401
- Olsen, T.¹ Yan, J.² Mortensen, J.J.³ Thygesen, K.S.⁴

20
- 66049138050
- D. Lu, Y. Li, D. Rocca, and G. Galli, Phys. Rev. Lett. 102, 206411 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.102.206411
- (2009) Phys. Rev. Lett. , vol.102 , pp. 206411
- Lu, D.¹ Li, Y.² Rocca, D.³ Galli, G.⁴

21
- 33645680431
- A. Marini, P. García-González, and A. Rubio, Phys. Rev. Lett. 96, 136404 (2006). PRLTAO 0031-9007 10.1103/PhysRevLett.96.136404
- (2006) Phys. Rev. Lett. , vol.96 , pp. 136404
- Marini, A.¹ García-González, P.² Rubio, A.³

22
- 77955010483
- J. Harl, L. Schimka, and G. Kresse, Phys. Rev. B 81, 115126 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.81.115126
- (2010) Phys. Rev. B , vol.81 , pp. 115126
- Harl, J.¹ Schimka, L.² Kresse, G.³

23
- 0042113153
- W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
- (1965) Phys. Rev. , vol.140 , pp. A1133
- Kohn, W.¹ Sham, L.J.²

24
- 84905482339
- N. L. Nguyen, N. Colonna, and S. de Gironcoli, Phys. Rev. B 90, 045138 (2014). PRBMDO 1098-0121 10.1103/PhysRevB.90.045138
- (2014) Phys. Rev. B , vol.90 , pp. 045138
- Nguyen, N.L.¹ Colonna, N.² De Gironcoli, S.³

25
- 84905594544
- J. Klimeš and G. Kresse, J. Chem. Phys. 140, 054516 (2014). JCPSA6 0021-9606 10.1063/1.4863502
- (2014) J. Chem. Phys. , vol.140 , pp. 054516
- Klimeš, J.¹ Kresse, G.²

26
- 34547237417
- M. Grüning, A. Marini, and A. Rubio, J. Chem. Phys. 124, 154108 (2006). JCPSA6 0021-9606 10.1063/1.2189226
- (2006) J. Chem. Phys. , vol.124 , pp. 154108
- Grüning, M.¹ Marini, A.² Rubio, A.³

27
- 0007784067
- T. Kotani, J. Phys.: Condens. Matter 10, 9241 (1998). JCOMEL 0953-8984 10.1088/0953-8984/10/41/007
- (1998) J. Phys.: Condens. Matter , vol.10 , pp. 9241
- Kotani, T.¹

28
- 33748908357
- R. W. Godby, M. Schlüter, and L. J. Sham, Phys. Rev. B 37, 10159 (1988). PRBMDO 0163-1829 10.1103/PhysRevB.37.10159
- (1988) Phys. Rev. B , vol.37 , pp. 10159
- Godby, R.W.¹ Schlüter, M.² Sham, L.J.³

29
- 25544479230
- M. S. Hybertsen and S. G. Louie, Phys. Rev. B 34, 5390 (1986). PRBMDO 0163-1829 10.1103/PhysRevB.34.5390
- (1986) Phys. Rev. B , vol.34 , pp. 5390
- Hybertsen, M.S.¹ Louie, S.G.²

30
- 84871769320
- N. Marom, F. Caruso, X. Ren, O. T. Hofmann, T. Körzdörfer, J. R. Chelikowsky, A. Rubio, M. Scheffler, and P. Rinke, Phys. Rev. B 86, 245127 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.86.245127
- (2012) Phys. Rev. B , vol.86 , pp. 245127
- Marom, N.¹ Caruso, F.² Ren, X.³ Hofmann, O.T.⁴ Körzdörfer, T.⁵ Chelikowsky, J.R.⁶ Rubio, A.⁷ Scheffler, M.⁸ Rinke, P.⁹

31
- 34548736472
- F. Fuchs, J. Furthmüller, F. Bechstedt, M. Shishkin, and G. Kresse, Phys. Rev. B 76, 115109 (2007). PRBMDO 1098-0121 10.1103/PhysRevB.76.115109
- (2007) Phys. Rev. B , vol.76 , pp. 115109
- Fuchs, F.¹ Furthmüller, J.² Bechstedt, F.³ Shishkin, M.⁴ Kresse, G.⁵

32
- 84872168134
- F. Bruneval and M. A. L. Marques, J. Chem. Theor. Comput. 9, 324 (2013). 1549-9618 10.1021/ct300835h
- (2013) J. Chem. Theor. Comput. , vol.9 , pp. 324
- Bruneval, F.¹ Marques, M.A.L.²

33
- 84865103447
- F. Caruso, P. Rinke, X. Ren, M. Scheffler, and A. Rubio, Phys. Rev. B 86, 081102 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.86.081102
- (2012) Phys. Rev. B , vol.86 , pp. 081102
- Caruso, F.¹ Rinke, P.² Ren, X.³ Scheffler, M.⁴ Rubio, A.⁵

34
- 36148933794
- H. Jiang and E. Engel, J. Chem. Phys. 127, 184108 (2007). JCPSA6 0021-9606 10.1063/1.2795707
- (2007) J. Chem. Phys. , vol.127 , pp. 184108
- Jiang, H.¹ Engel, E.²

35
- 70449382771
- A. Grüneis, M. Marsman, J. Harl, L. Schimka, and G. Kresse, J. Chem. Phys. 131, 154115 (2009). JCPSA6 0021-9606 10.1063/1.3250347
- (2009) J. Chem. Phys. , vol.131 , pp. 154115
- Grüneis, A.¹ Marsman, M.² Harl, J.³ Schimka, L.⁴ Kresse, G.⁵

36
- 77956513429
- J. Toulouse, W. Zhu, J. G. Ángyán, and A. Savin, Phys. Rev. A 82, 032502 (2010). PLRAAN 1050-2947 10.1103/PhysRevA.82.032502
- (2010) Phys. Rev. A , vol.82 , pp. 032502
- Toulouse, J.¹ Zhu, W.² Ángyán, J.G.³ Savin, A.⁴

37
- 80053956799
- J. G. Ángyán, R.-F. Liu, J. Toulouse, and G. Jansen, J. Chem. Theor. Comput. 7, 3116 (2011). 1549-9618 10.1021/ct200501r
- (2011) J. Chem. Theor. Comput. , vol.7 , pp. 3116
- Ángyán, J.G.¹ Liu, R.-F.² Toulouse, J.³ Jansen, G.⁴

38
- 84874522989
- T. Olsen and K. S. Thygesen, Phys. Rev. B 87, 075111 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.075111
- (2013) Phys. Rev. B , vol.87 , pp. 075111
- Olsen, T.¹ Thygesen, K.S.²

39
- 84867062185
- M. Casadei, X. Ren, P. Rinke, A. Rubio, and M. Scheffler, Phys. Rev. Lett. 109, 146402 (2012). PRLTAO 0031-9007 10.1103/PhysRevLett.109.146402
- (2012) Phys. Rev. Lett. , vol.109 , pp. 146402
- Casadei, M.¹ Ren, X.² Rinke, P.³ Rubio, A.⁴ Scheffler, M.⁵

40
- 84876010169
- F. Caruso, D. R. Rohr, M. Hellgren, X. Ren, P. Rinke, A. Rubio, and M. Scheffler, Phys. Rev. Lett. 110, 146403 (2013). PRLTAO 0031-9007 10.1103/PhysRevLett.110.146403
- (2013) Phys. Rev. Lett. , vol.110 , pp. 146403
- Caruso, F.¹ Rohr, D.R.² Hellgren, M.³ Ren, X.⁴ Rinke, P.⁵ Rubio, A.⁶ Scheffler, M.⁷

41
- 84929179424
- M. Hellgren, F. Caruso, D. R. Rohr, X. Ren, A. Rubio, M. Scheffler, and P. Rinke, Phys. Rev. B 91, 165110 (2015). PRBMDO 1098-0121 10.1103/PhysRevB.91.165110
- (2015) Phys. Rev. B , vol.91 , pp. 165110
- Hellgren, M.¹ Caruso, F.² Rohr, D.R.³ Ren, X.⁴ Rubio, A.⁵ Scheffler, M.⁶ Rinke, P.⁷

42
- 77955645478
- S. Ismail-Beigi, Phys. Rev. B 81, 195126 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.81.195126
- (2010) Phys. Rev. B , vol.81 , pp. 195126
- Ismail-Beigi, S.¹

43
- 14344278811
- D. C. Langreth and J. P. Perdew, Phys. Rev. B 15, 2884 (1977). 0556-2805 10.1103/PhysRevB.15.2884
- (1977) Phys. Rev. B , vol.15 , pp. 2884
- Langreth, D.C.¹ Perdew, J.P.²

44
- 25544474582
- O. Gunnarsson and B. I. Lundqvist, Phys. Rev. B 13, 4274 (1976). 0556-2805 10.1103/PhysRevB.13.4274
- (1976) Phys. Rev. B , vol.13 , pp. 4274
- Gunnarsson, O.¹ Lundqvist, B.I.²

45
- 0012459223
- M. Petersilka, U. J. Gossmann, and E. K. U. Gross, Phys. Rev. Lett. 76, 1212 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.76.1212
- (1996) Phys. Rev. Lett. , vol.76 , pp. 1212
- Petersilka, M.¹ Gossmann, U.J.² Gross, E.K.U.³

46
- 79961222789
- J. Yan, J. J. Mortensen, K. W. Jacobsen, and K. S. Thygesen, Phys. Rev. B 83, 245122 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.245122
- (2011) Phys. Rev. B , vol.83 , pp. 245122
- Yan, J.¹ Mortensen, J.J.² Jacobsen, K.W.³ Thygesen, K.S.⁴

47
- 77953748283
- J. Enkovaara, J. Phys.: Condens. Matter 22, 253202 (2010). JCOMEL 0953-8984 10.1088/0953-8984/22/25/253202
- (2010) J. Phys.: Condens. Matter , vol.22 , pp. 253202
- Enkovaara, J.¹

48
- 1642360568
- A. Rohrbach, J. Hafner, and G. Kresse, Phys. Rev. B 69, 075413 (2004). PRBMDO 1098-0121 10.1103/PhysRevB.69.075413
- (2004) Phys. Rev. B , vol.69 , pp. 075413
- Rohrbach, A.¹ Hafner, J.² Kresse, G.³

49
- 25744460922
- P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
- (1994) Phys. Rev. B , vol.50 , pp. 17953
- Blöchl, P.E.¹

50
- 33645898818
- J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992). PRBMDO 0163-1829 10.1103/PhysRevB.45.13244
- (1992) Phys. Rev. B , vol.45 , pp. 13244
- Perdew, J.P.¹ Wang, Y.²

51
- 4243943295
- J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

52
- 1842816907
- H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976). 0556-2805 10.1103/PhysRevB.13.5188
- (1976) Phys. Rev. B , vol.13 , pp. 5188
- Monkhorst, H.J.¹ Pack, J.D.²

53
- 84877050644
- R. Sundararaman and T. A. Arias, Phys. Rev. B 87, 165122 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.165122
- (2013) Phys. Rev. B , vol.87 , pp. 165122
- Sundararaman, R.¹ Arias, T.A.²

54
- 36149027186
- F. Birch, Phys. Rev. 71, 809 (1947). PHRVAO 0031-899X 10.1103/PhysRev.71.809
- (1947) Phys. Rev. , vol.71 , pp. 809
- Birch, F.¹

55
- 24844452621
- O. H. Nielsen and R. M. Martin, Phys. Rev. B 32, 3780 (1985). PRBMDO 0163-1829 10.1103/PhysRevB.32.3780
- (1985) Phys. Rev. B , vol.32 , pp. 3780
- Nielsen, O.H.¹ Martin, R.M.²

56
- 0141683503
- U. Hotje, C. Rose, and M. Binnewies, Solid State Sci. 5, 1259 (2003). SSSCFJ 1293-2558 10.1016/S1293-2558(03)00177-8
- (2003) Solid State Sci. , vol.5 , pp. 1259
- Hotje, U.¹ Rose, C.² Binnewies, M.³

57
- 33845796556
- T. Miyake, P. Zhang, M. L. Cohen, and S. G. Louie, Phys. Rev. B 74, 245213 (2006). PRBMDO 1098-0121 10.1103/PhysRevB.74.245213
- (2006) Phys. Rev. B , vol.74 , pp. 245213
- Miyake, T.¹ Zhang, P.² Cohen, M.L.³ Louie, S.G.⁴

58
- 21344438863
- P. Rinke, A. Qteish, J. Neugebauer, C. Freysoldt, and M. Scheffler, New J. Phys. 7, 126 (2005). NJOPFM 1367-2630 10.1088/1367-2630/7/1/126
- (2005) New J. Phys. , vol.7 , pp. 126
- Rinke, P.¹ Qteish, A.² Neugebauer, J.³ Freysoldt, C.⁴ Scheffler, M.⁵

59
- 0001572490
- D. Vogel, P. Krüger, and J. Pollmann, Phys. Rev. B 54, 5495 (1996). PRBMDO 0163-1829 10.1103/PhysRevB.54.5495
- (1996) Phys. Rev. B , vol.54 , pp. 5495
- Vogel, D.¹ Krüger, P.² Pollmann, J.³

60
- 34047262515
- S. Z. Karazhanov, P. Ravindran, A. Kjekshus, H. Fjellvåg, and B. G. Svensson, Phys. Rev. B 75, 155104 (2007). PRBMDO 1098-0121 10.1103/PhysRevB.75.155104
- (2007) Phys. Rev. B , vol.75 , pp. 155104
- Karazhanov, S.Z.¹ Ravindran, P.² Kjekshus, A.³ Fjellvåg, H.⁴ Svensson, B.G.⁵

61
- 0037034762
- T. Kotani and M. van Schilfgaarde, Solid State Commun. 121, 461 (2002). SSCOA4 0038-1098 10.1016/S0038-1098(02)00028-5
- (2002) Solid State Commun. , vol.121 , pp. 461
- Kotani, T.¹ Van Schilfgaarde, M.²

62
- 34347372420
- M. Shishkin and G. Kresse, Phys. Rev. B 75, 235102 (2007). PRBMDO 1098-0121 10.1103/PhysRevB.75.235102
- (2007) Phys. Rev. B , vol.75 , pp. 235102
- Shishkin, M.¹ Kresse, G.²

63
- 0001073506
- L. Ley, R. A. Pollak, F. R. McFeely, S. P. Kowalczyk, and D. A. Shirley, Phys. Rev. B 9, 600 (1974). 0556-2805 10.1103/PhysRevB.9.600
- (1974) Phys. Rev. B , vol.9 , pp. 600
- Ley, L.¹ Pollak, R.A.² McFeely, F.R.³ Kowalczyk, S.P.⁴ Shirley, D.A.⁵

64
- 0001487975
- R. Weidemann, H.-E. Gumlich, M. Kupsch, H.-U. Middelmann, and U. Becker, Phys. Rev. B 45, 1172 (1992). PRBMDO 0163-1829 10.1103/PhysRevB.45.1172
- (1992) Phys. Rev. B , vol.45 , pp. 1172
- Weidemann, R.¹ Gumlich, H.-E.² Kupsch, M.³ Middelmann, H.-U.⁴ Becker, U.⁵

65
- 33845281352
- J. K. Burdett, T. Hughbanks, G. J. Miller, J. W. Richardson, and J. V. Smith, J. Am. Chem. Soc. 109, 3639 (1987). JACSAT 0002-7863 10.1021/ja00246a021
- (1987) J. Am. Chem. Soc. , vol.109 , pp. 3639
- Burdett, J.K.¹ Hughbanks, T.² Miller, G.J.³ Richardson, J.W.⁴ Smith, J.V.⁵

66
- 0036612527
- J. Muscat, V. Swamy, and N. M. Harrison, Phys. Rev. B 65, 224112 (2002). PRBMDO 0163-1829 10.1103/PhysRevB.65.224112
- (2002) Phys. Rev. B , vol.65 , pp. 224112
- Muscat, J.¹ Swamy, V.² Harrison, N.M.³

67
- 27844438136
- J. B. Goodenough, Prog. Solid State Chem. 5, 145 (1971). PSSTAW 0079-6786 10.1016/0079-6786(71)90018-5
- (1971) Prog. Solid State Chem. , vol.5 , pp. 145
- Goodenough, J.B.¹

68
- 26344455153
- K. M. Glassford and J. R. Chelikowsky, Phys. Rev. B 46, 1284 (1992). PRBMDO 0163-1829 10.1103/PhysRevB.46.1284
- (1992) Phys. Rev. B , vol.46 , pp. 1284
- Glassford, K.M.¹ Chelikowsky, J.R.²

69
- 34247401748
- F. Labat, P. Baranek, C. Domain, C. Minot, and C. Adamo, J. Chem. Phys. 126, 154703 (2007). JCPSA6 0021-9606 10.1063/1.2717168
- (2007) J. Chem. Phys. , vol.126 , pp. 154703
- Labat, F.¹ Baranek, P.² Domain, C.³ Minot, C.⁴ Adamo, C.⁵

70
- 77956685928
- L. Chiodo, J. M. García-Lastra, A. Iacomino, S. Ossicini, J. Zhao, H. Petek, and A. Rubio, Phys. Rev. B 82, 045207 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.82.045207
- (2010) Phys. Rev. B , vol.82 , pp. 045207
- Chiodo, L.¹ García-Lastra, J.M.² Iacomino, A.³ Ossicini, S.⁴ Zhao, J.⁵ Petek, H.⁶ Rubio, A.⁷

71
- 77957551459
- W. Kang and M. S. Hybertsen, Phys. Rev. B 82, 085203 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.82.085203
- (2010) Phys. Rev. B , vol.82 , pp. 085203
- Kang, W.¹ Hybertsen, M.S.²

72
- 80051677695
- M. E. Arroyo-de Dompablo, A. Morales-García, and M. Taravillo, J. Chem. Phys. 135, 054503 (2011). JCPSA6 0021-9606 10.1063/1.3617244
- (2011) J. Chem. Phys. , vol.135 , pp. 054503
- Arroyo-De Dompablo, M.E.¹ Morales-García, A.² Taravillo, M.³

73
- 84860319355
- C. E. Patrick and F. Giustino, J. Phys.: Condens. Matter 24, 202201 (2012). JCOMEL 0953-8984 10.1088/0953-8984/24/20/202201
- (2012) J. Phys.: Condens. Matter , vol.24 , pp. 202201
- Patrick, C.E.¹ Giustino, F.²

74
- 33744629963
- A. Fahmi, C. Minot, B. Silvi, and M. Causá, Phys. Rev. B 47, 11717 (1993). PRBMDO 0163-1829 10.1103/PhysRevB.47.11717
- (1993) Phys. Rev. B , vol.47 , pp. 11717
- Fahmi, A.¹ Minot, C.² Silvi, B.³ Causá, M.⁴

75
- 0000004257
- V. Shklover, M.-K. Nazeeruddin, S. M. Zakeeruddin, C. Barbé, A. Kay, T. Haibach, W. Steurer, R. Hermann, H.-U. Nissen, and M. Grätzel, Chem. Mater. 9, 430 (1997). CMATEX 0897-4756 10.1021/cm950502p
- (1997) Chem. Mater. , vol.9 , pp. 430
- Shklover, V.¹ Nazeeruddin, M.-K.² Zakeeruddin, S.M.³ Barbé, C.⁴ Kay, A.⁵ Haibach, T.⁶ Steurer, W.⁷ Hermann, R.⁸ Nissen, H.-U.⁹ Grätzel, M.¹⁰

76
- 0347895525
- M. R. Ranade, A. Navrotsky, H. Z. Zhang, J. F. Banfield, S. H. Elder, A. Zaban, P. H. Borse, S. K. Kulkarni, G. S. Doran, and H. J. Whitfield, Proc. Natl. Acad. Sci. USA 99, 6476 (2002). PNASA6 0027-8424 10.1073/pnas.251534898
- (2002) Proc. Natl. Acad. Sci. USA , vol.99 , pp. 6476
- Ranade, M.R.¹ Navrotsky, A.² Zhang, H.Z.³ Banfield, J.F.⁴ Elder, S.H.⁵ Zaban, A.⁶ Borse, P.H.⁷ Kulkarni, S.K.⁸ Doran, G.S.⁹ Whitfield, H.J.¹⁰

77
- 33846356643
- A. A. Levchenko, G. Li, J. Boerio-Goates, B. F. Woodfield, and A. Navrotsky, Chem. Mater. 18, 6324 (2006). CMATEX 0897-4756 10.1021/cm061183c
- (2006) Chem. Mater. , vol.18 , pp. 6324
- Levchenko, A.A.¹ Li, G.² Boerio-Goates, J.³ Woodfield, B.F.⁴ Navrotsky, A.⁵

78
- 84941248260
- M. T. Curnan and J. R. Kitchin, J. Phys. Chem. C 119, 21060 (2015). 1932-7447 10.1021/acs.jpcc.5b05338
- (2015) J. Phys. Chem. C , vol.119 , pp. 21060
- Curnan, M.T.¹ Kitchin, J.R.²

79
- 84929104664
- M. Gerosa, C. E. Bottani, L. Caramella, G. Onida, C. Di Valentin, and G. Pacchioni, Phys. Rev. B 91, 155201 (2015). PRBMDO 1098-0121 10.1103/PhysRevB.91.155201
- (2015) Phys. Rev. B , vol.91 , pp. 155201
- Gerosa, M.¹ Bottani, C.E.² Caramella, L.³ Onida, G.⁴ Di Valentin, C.⁵ Pacchioni, G.⁶

80
- 77954853535
- R. Shirley, M. Kraft, and O. R. Inderwildi, Phys. Rev. B 81, 075111 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.81.075111
- (2010) Phys. Rev. B , vol.81 , pp. 075111
- Shirley, R.¹ Kraft, M.² Inderwildi, O.R.³

81
- 80053599175
- J. C. Conesa, J. Phys. Chem. C 114, 22718 (2010). 1932-7447 10.1021/jp109105g
- (2010) J. Phys. Chem. C , vol.114 , pp. 22718
- Conesa, J.C.¹

82
- 84867250765
- J. Moellmann, S. Ehrlich, R. Tonner, and S. Grimme, J. Phys.: Condens. Matter 24, 424206 (2012). JCOMEL 0953-8984 10.1088/0953-8984/24/42/424206
- (2012) J. Phys.: Condens. Matter , vol.24 , pp. 424206
- Moellmann, J.¹ Ehrlich, S.² Tonner, R.³ Grimme, S.⁴

83
- 84901765245
- T. Zhu and S.-P. Gao, J. Phys. Chem. C 118, 11385 (2014). 1932-7447 10.1021/jp412462m
- (2014) J. Phys. Chem. C , vol.118 , pp. 11385
- Zhu, T.¹ Gao, S.-P.²

84
- 58049126833
- G. Mattioli, F. Filippone, P. Alippi, and A. Amore Bonapasta, Phys. Rev. B 78, 241201 (2008). PRBMDO 1098-0121 10.1103/PhysRevB.78.241201
- (2008) Phys. Rev. B , vol.78 , pp. 241201
- Mattioli, G.¹ Filippone, F.² Alippi, P.³ Amore Bonapasta, A.⁴

85
- 84910002453
- C. Dette, M. A. Pérez-Osorio, C. S. Kley, P. Punke, C. E. Patrick, P. Jacobson, F. Giustino, S. J. Jung, and K. Kern, Nano Lett. 14, 6533 (2014). NALEFD 1530-6984 10.1021/nl503131s
- (2014) Nano Lett. , vol.14 , pp. 6533
- Dette, C.¹ Pérez-Osorio, M.A.² Kley, C.S.³ Punke, P.⁴ Patrick, C.E.⁵ Jacobson, P.⁶ Giustino, F.⁷ Jung, S.J.⁸ Kern, K.⁹

86
- 0001309069
- A. K. Cheetham and D. A. O. Hope, Phys. Rev. B 27, 6964 (1983). PRBMDO 0163-1829 10.1103/PhysRevB.27.6964
- (1983) Phys. Rev. B , vol.27 , pp. 6964
- Cheetham, A.K.¹ Hope, D.A.O.²

87
- 84929377078
- C. E. Patrick and K. S. Thygesen, J. Chem. Phys. 143, 102802 (2015). JCPSA6 0021-9606 10.1063/1.4919236
- (2015) J. Chem. Phys. , vol.143 , pp. 102802
- Patrick, C.E.¹ Thygesen, K.S.²

88
- 84879938479
- L. Schimka, R. Gaudoin, J. Klimeš, M. Marsman, and G. Kresse, Phys. Rev. B 87, 214102 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.214102
- (2013) Phys. Rev. B , vol.87 , pp. 214102
- Schimka, L.¹ Gaudoin, R.² Klimeš, J.³ Marsman, M.⁴ Kresse, G.⁵

89
- 84908024199
- J. Klimeš, M. Kaltak, and G. Kresse, Phys. Rev. B 90, 075125 (2014). PRBMDO 1098-0121 10.1103/PhysRevB.90.075125
- (2014) Phys. Rev. B , vol.90 , pp. 075125
- Klimeš, J.¹ Kaltak, M.² Kresse, G.³

90
- 33646343022
- L. Wang, T. Maxisch, and G. Ceder, Phys. Rev. B 73, 195107 (2006). PRBMDO 1098-0121 10.1103/PhysRevB.73.195107
- (2006) Phys. Rev. B , vol.73 , pp. 195107
- Wang, L.¹ Maxisch, T.² Ceder, G.³

91
- 0000109706
- V. I. Anisimov and O. Gunnarsson, Phys. Rev. B 43, 7570 (1991). PRBMDO 0163-1829 10.1103/PhysRevB.43.7570
- (1991) Phys. Rev. B , vol.43 , pp. 7570
- Anisimov, V.I.¹ Gunnarsson, O.²

92
- 0035794648
- Y. K. Vohra and P. T. Spencer, Phys. Rev. Lett. 86, 3068 (2001). PRLTAO 0031-9007 10.1103/PhysRevLett.86.3068
- (2001) Phys. Rev. Lett. , vol.86 , pp. 3068
- Vohra, Y.K.¹ Spencer, P.T.²

93
- 61549134825
- P. Haas, F. Tran, and P. Blaha, Phys. Rev. B 79, 085104 (2009). PRBMDO 1098-0121 10.1103/PhysRevB.79.085104
- (2009) Phys. Rev. B , vol.79 , pp. 085104
- Haas, P.¹ Tran, F.² Blaha, P.³

94
- 0242354493
- F. Starrost, H. Kim, S. C. Watson, E. Kaxiras, and E. A. Carter, Phys. Rev. B 64, 235105 (2001). PRBMDO 0163-1829 10.1103/PhysRevB.64.235105
- (2001) Phys. Rev. B , vol.64 , pp. 235105
- Starrost, F.¹ Kim, H.² Watson, S.C.³ Kaxiras, E.⁴ Carter, E.A.⁵

95
- 84884891470
- T. Olsen and K. S. Thygesen, Phys. Rev. B 88, 115131 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.88.115131
- (2013) Phys. Rev. B , vol.88 , pp. 115131
- Olsen, T.¹ Thygesen, K.S.²

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