SCOPUS 정보 검색 플랫폼

Physical Review B - Condensed Matter and Materials Physics

Volumn 89, Issue 19, 2014, Pages

Electrostatics-based finite-size corrections for first-principles point defect calculations

(2) Kumagai, Yu a Oba, Fumiyasu a,b

a TOKYO INSTITUTE OF TECHNOLOGY (Japan)

b KYOTO UNIVERSITY (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84901389906 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.89.195205 Document Type: Article

Times cited : (419)

References (78)

1
- 84899731030
- RMPHAT 0034-6861 10.1103/RevModPhys.86.253
- C. Freysoldt, B. Grabowski, T. Hickel, J. Neugebauer, G. Kresse, A. Janotti, and C. G. Van de Walle, Rev. Mod. Phys. 86, 253 (2014). RMPHAT 0034-6861 10.1103/RevModPhys.86.253
- (2014) Rev. Mod. Phys. , vol.86 , pp. 253
- Freysoldt, C.¹ Grabowski, B.² Hickel, T.³ Neugebauer, J.⁴ Kresse, G.⁵ Janotti, A.⁶ Van De Walle, C.G.⁷

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

3
- 70949087931
- MSMEEU 0965-0393 10.1088/0965-0393/17/8/084001
- R. M. Nieminen, Modell. Simul. Mater. Sci. Eng. 17, 084001 (2009). MSMEEU 0965-0393 10.1088/0965-0393/17/8/084001
- (2009) Modell. Simul. Mater. Sci. Eng. , vol.17 , pp. 084001
- Nieminen, R.M.¹

4
- 78651327890
- PSSBBD 0370-1972 10.1002/pssb.201046327
- W. R. L. Lambrecht, Phys. Status Solidi B 248, 1547 (2010). PSSBBD 0370-1972 10.1002/pssb.201046327
- (2010) Phys. Status Solidi B , vol.248 , pp. 1547
- Lambrecht, W.R.L.¹

5
- 0037799714
- JCPSA6 0021-9606 10.1063/1.1564060
- J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 118, 8207 (2003). JCPSA6 0021-9606 10.1063/1.1564060
- (2003) J. Chem. Phys. , vol.118 , pp. 8207
- Heyd, J.¹ Scuseria, G.E.² Ernzerhof, M.³

6
- 33845518500
- 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. 125, 224106 (2006). JCPSA6 0021-9606 10.1063/1.2404663 (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

7
- 57749196971
- PRBMDO 1098-0121 10.1103/PhysRevB.78.235104
- S. Lany and A. Zunger, Phys. Rev. B 78, 235104 (2008). PRBMDO 1098-0121 10.1103/PhysRevB.78.235104
- (2008) Phys. Rev. B , vol.78 , pp. 235104
- Lany, S.¹ Zunger, A.²

8
- 84863833798
- PRBMDO 1098-0121 10.1103/PhysRevB.86.045112
- H.-P. Komsa, T. T. Rantala, and A. Pasquarello, Phys. Rev. B 86, 045112 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.86.045112
- (2012) Phys. Rev. B , vol.86 , pp. 045112
- Komsa, H.-P.¹ Rantala, T.T.² Pasquarello, A.³

9
- 0001433702
- PRBMDO 0163-1829 10.1103/PhysRevB.24.7412
- L. Kleinman, Phys. Rev. B 24, 7412 (1981). PRBMDO 0163-1829 10.1103/PhysRevB.24.7412
- (1981) Phys. Rev. B , vol.24 , pp. 7412
- Kleinman, L.¹

10
- 71049156600
- MSMEEU 0965-0393 10.1088/0965-0393/17/8/084002
- S. Lany and A. Zunger, Modell. Simul. Mater. Sci. Eng. 17, 084002 (2009). MSMEEU 0965-0393 10.1088/0965-0393/17/8/084002
- (2009) Modell. Simul. Mater. Sci. Eng. , vol.17 , pp. 084002
- Lany, S.¹ Zunger, A.²

11
- 0000934120
- JPSOAW 0022-3719 10.1088/0022-3719/18/5/005
- M. Leslie and N. J. Gillan, J. Phys. C: Solid State Phys. 18, 973 (1985). JPSOAW 0022-3719 10.1088/0022-3719/18/5/005
- (1985) J. Phys. C: Solid State Phys. , vol.18 , pp. 973
- Leslie, M.¹ Gillan, N.J.²

12
- 0001671054
- PRBMDO 0163-1829 10.1103/PhysRevB.51.4014
- G. Makov and M. C. Payne, Phys. Rev. B 51, 4014 (1995). PRBMDO 0163-1829 10.1103/PhysRevB.51.4014
- (1995) Phys. Rev. B , vol.51 , pp. 4014
- Makov, G.¹ Payne, M.C.²

13
- 0001481240
- PRLTAO 0031-9007 10.1103/PhysRevLett.84.1942
- P. A. Schultz, Phys. Rev. Lett. 84, 1942 (2000). PRLTAO 0031-9007 10.1103/PhysRevLett.84.1942
- (2000) Phys. Rev. Lett. , vol.84 , pp. 1942
- Schultz, P.A.¹

14
- 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 73, 035215 (2006). PRBMDO 1098-0121 10.1103/PhysRevB.73.035215 (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

15
- 58849141743
- PRLTAO 0031-9007 10.1103/PhysRevLett.102.016402
- C. Freysoldt, J. Neugebauer, and C. G. Van de Walle, Phys. Rev. Lett. 102, 016402 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.102.016402
- (2009) Phys. Rev. Lett. , vol.102 , pp. 016402
- Freysoldt, C.¹ Neugebauer, J.² Van De Walle, C.G.³

16
- 78651294842
- PSSBBD 0370-1972 10.1002/pssb.201046289
- C. Freysoldt, J. Neugebauer, and C. G. Van de Walle, Phys. Status Solidi B 248 (2011). PSSBBD 0370-1972 10.1002/pssb.201046289
- (2011) Phys. Status Solidi B , vol.248
- Freysoldt, C.¹ Neugebauer, J.² Van De Walle, C.G.³

17
- 80052411042
- PRBMDO 1098-0121 10.1103/PhysRevB.84.075155
- S. E. Taylor and F. Bruneval, Phys. Rev. B 84, 075155 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.84.075155
- (2011) Phys. Rev. B , vol.84 , pp. 075155
- Taylor, S.E.¹ Bruneval, F.²

18
- 60449097979
- PRBMDO 1098-0121 10.1103/PhysRevB.79.024112
- N. D. M. Hine, K. Frensch, W. M. C. Foulkes, and M. W. Finnis, Phys. Rev. B 79, 024112 (2009). PRBMDO 1098-0121 10.1103/PhysRevB.79.024112
- (2009) Phys. Rev. B , vol.79 , pp. 024112
- Hine, N.D.M.¹ Frensch, K.² Foulkes, W.M.C.³ Finnis, M.W.⁴

19
- 65249168937
- NALEFD 1530-6984 10.1021/nl802847p
- R. Rurali and X. Cartoixà, Nano Lett. 9, 975 (2009). NALEFD 1530-6984 10.1021/nl802847p
- (2009) Nano Lett. , vol.9 , pp. 975
- Rurali, R.¹ Cartoixà, X.²

20
- 84875738653
- PRBMDO 1098-0121 10.1103/PhysRevB.87.094111
- S. T. Murphy and N. D. M. Hine, Phys. Rev. B 87, 094111 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.094111
- (2013) Phys. Rev. B , vol.87 , pp. 094111
- Murphy, S.T.¹ Hine, N.D.M.²

21
- 0035529353
- RMPHAT 0034-6861 10.1103/RevModPhys.73.33
- W. M. C. Foulkes, L. Mitas, R. J. Needs, and G. Rajagopal, Rev. Mod. Phys. 73, 33 (2001). RMPHAT 0034-6861 10.1103/RevModPhys.73.33
- (2001) Rev. Mod. Phys. , vol.73 , pp. 33
- Foulkes, W.M.C.¹ Mitas, L.² Needs, R.J.³ Rajagopal, G.⁴

22
- 0010059052
- PRBMDO 0163-1829 10.1103/PhysRevB.63.075205
- S. B. Zhang, S.-H. Wei, and A. Zunger, Phys. Rev. B 63, 075205 (2001). PRBMDO 0163-1829 10.1103/PhysRevB.63.075205
- (2001) Phys. Rev. B , vol.63 , pp. 075205
- Zhang, S.B.¹ Wei, S.-H.² Zunger, A.³

23
- 33748995685
- Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects
- DOI 10.1103/PhysRevB.74.121102
- E. R. Batista, J. Heyd, R. G. Hennig, B. P. Uberuaga, R. L. Martin, G. E. Scuseria, C. J. Umrigar, and J. W. Wilkins, Phys. Rev. B 74, 121102 (2006). PRBMDO 1098-0121 10.1103/PhysRevB.74.121102 (Pubitemid 44455374)
- (2006) Physical Review B - Condensed Matter and Materials Physics , vol.74 , Issue.12 , pp. 121102
- Batista, E.R.¹ Heyd, J.² Hennig, R.G.³ Uberuaga, B.P.⁴ Martin, R.L.⁵ Scuseria, G.E.⁶ Umrigar, C.J.⁷ Wilkins, J.W.⁸

24
- 45249100389
- PRBMDO 1098-0121 10.1103/PhysRevB.77.245202
- F. Oba, A. Togo, I. Tanaka, J. Paier, and G. Kresse, Phys. Rev. B 77, 245202 (2008). PRBMDO 1098-0121 10.1103/PhysRevB.77.245202
- (2008) Phys. Rev. B , vol.77 , pp. 245202
- Oba, F.¹ Togo, A.² Tanaka, I.³ Paier, J.⁴ Kresse, G.⁵

25
- 48849087832
- PRLTAO 0031-9007 10.1103/PhysRevLett.101.046405
- A. Alkauskas, P. Broqvist, and A. Pasquarello, Phys. Rev. Lett. 101, 046405 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.101.046405
- (2008) Phys. Rev. Lett. , vol.101 , pp. 046405
- Alkauskas, A.¹ Broqvist, P.² Pasquarello, A.³

26
- 70350391614
- PRLTAO 0031-9007 10.1103/PhysRevLett.103.176403
- F. Bruneval, Phys. Rev. Lett. 103, 176403 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.103.176403
- (2009) Phys. Rev. Lett. , vol.103 , pp. 176403
- Bruneval, F.¹

27
- 59149099649
- PRLTAO 0031-9007 10.1103/PhysRevLett.102.026402
- P. Rinke, A. Janotti, M. Scheffler, and C. G. Van de Walle, Phys. Rev. Lett. 102, 026402 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.102.026402
- (2009) Phys. Rev. Lett. , vol.102 , pp. 026402
- Rinke, P.¹ Janotti, A.² Scheffler, M.³ Van De Walle, C.G.⁴

28
- 77954991428
- PRBMDO 1098-0121 10.1103/PhysRevB.81.113201
- S. Lany and A. Zunger, Phys. Rev. B 81, 113201 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.81.113201
- (2010) Phys. Rev. B , vol.81 , pp. 113201
- Lany, S.¹ Zunger, A.²

29
- 84864590839
- PRBMDO 1098-0121 10.1103/PhysRevB.86.035134
- W. Chen and A. Pasquarello, Phys. Rev. B 86, 035134 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.86.035134
- (2012) Phys. Rev. B , vol.86 , pp. 035134
- Chen, W.¹ Pasquarello, A.²

30
- 84896328459
- PRLTAO 0031-9007 10.1103/PhysRevLett.112.096401
- A. Grüneis, G. Kresse, Y. Hinuma, and F. Oba, Phys. Rev. Lett. 112, 096401 (2014). PRLTAO 0031-9007 10.1103/PhysRevLett.112.096401
- (2014) Phys. Rev. Lett. , vol.112 , pp. 096401
- Grüneis, A.¹ Kresse, G.² Hinuma, Y.³ Oba, F.⁴

31
- 33749159295
- N-Type doping of CuInSe2 and CuGaSe2
- DOI 10.1103/PhysRevB.72.035211, 035211
- C. Persson, Y.-J. Zhao, S. Lany, and A. Zunger, Phys. Rev. B 72, 035211 (2005). PRBMDO 1098-0121 10.1103/PhysRevB.72.035211 (Pubitemid 41506708)
- (2005) Physical Review B - Condensed Matter and Materials Physics , vol.72 , Issue.3 , pp. 1-14
- Persson, C.¹ Zhao, Y.-J.² Lany, S.³ Zunger, A.⁴

32
- 70349464376
- PRBMDO 1098-0121 10.1103/PhysRevB.80.085120
- Y. Kumagai, F. Oba, I. Yamada, M. Azuma, and I. Tanaka, Phys. Rev. B 80, 085120 (2009). PRBMDO 1098-0121 10.1103/PhysRevB.80.085120
- (2009) Phys. Rev. B , vol.80 , pp. 085120
- Kumagai, Y.¹ Oba, F.² Yamada, I.³ Azuma, M.⁴ Tanaka, I.⁵

33
- 84872010743
- ADVMEW 0935-9648 10.1002/adma.201203580
- M. Choi, F. Oba, Y. Kumagai, and I. Tanaka, Adv. Mater. 25, 86 (2013). ADVMEW 0935-9648 10.1002/adma.201203580
- (2013) Adv. Mater. , vol.25 , pp. 86
- Choi, M.¹ Oba, F.² Kumagai, Y.³ Tanaka, I.⁴

34
- 25744460922
- PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
- 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

35
- 12844286241
- PRBMDO 0163-1829 10.1103/PhysRevB.47.558
- G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993). PRBMDO 0163-1829 10.1103/PhysRevB.47.558
- (1993) Phys. Rev. B , vol.47 , pp. 558
- Kresse, G.¹ Hafner, J.²

36
- 2442537377
- PRBMDO 0163-1829 10.1103/PhysRevB.54.11169
- G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996). PRBMDO 0163-1829 10.1103/PhysRevB.54.11169
- (1996) Phys. Rev. B , vol.54 , pp. 11169
- Kresse, G.¹ Furthmüller, J.²

37
- 4243943295
- PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
- 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

38
- 26144450583
- PRBMDO 0163-1829 10.1103/PhysRevB.23.5048
- J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981). PRBMDO 0163-1829 10.1103/PhysRevB.23.5048
- (1981) Phys. Rev. B , vol.23 , pp. 5048
- Perdew, J.P.¹ Zunger, A.²

39
- 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 57, 1505 (1998). PRBMDO 1098-0121 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

40
- 84873424067
- PRLTAO 0031-9007 10.1103/PhysRevLett.110.065504
- R. Ishikawa, N. Shibata, F. Oba, T. Taniguchi, S. D. Findlay, I. Tanaka, and Y. Ikuhara, Phys. Rev. Lett. 110, 065504 (2013). PRLTAO 0031-9007 10.1103/PhysRevLett.110.065504
- (2013) Phys. Rev. Lett. , vol.110 , pp. 065504
- Ishikawa, R.¹ Shibata, N.² Oba, F.³ Taniguchi, T.⁴ Findlay, S.D.⁵ Tanaka, I.⁶ Ikuhara, Y.⁷

41
- 0001666291
- PRBMDO 0163-1829 10.1103/PhysRevB.33.7017
- S. Baroni and R. Resta, Phys. Rev. B 33, 7017 (1986). PRBMDO 0163-1829 10.1103/PhysRevB.33.7017
- (1986) Phys. Rev. B , vol.33 , pp. 7017
- Baroni, S.¹ Resta, R.²

42
- 33144466298
- Linear optical properties in the projector-augmented wave methodology
- DOI 10.1103/PhysRevB.73.045112, 045112
- M. Gajdoš, K. Hummer, G. Kresse, J. Furthmüller, and F. Bechstedt, Phys. Rev. B 73, 045112 (2006). PRBMDO 1098-0121 10.1103/PhysRevB.73. 045112 (Pubitemid 43270689)
- (2006) Physical Review B - Condensed Matter and Materials Physics , vol.73 , Issue.4 , pp. 1-9
- Gajdos, M.¹ Hummer, K.² Kresse, G.³ Furthmuller, J.⁴ Bechstedt, F.⁵

43
- 0034900723
- PRBMDO 0163-1829 10.1103/PhysRevB.63.155107
- R. W. Nunes and X. Gonze, Phys. Rev. B 63, 155107 (2001). PRBMDO 0163-1829 10.1103/PhysRevB.63.155107
- (2001) Phys. Rev. B , vol.63 , pp. 155107
- Nunes, R.W.¹ Gonze, X.²

44
- 79953876023
- ASBSDK 0108-7681 10.1107/S0108768188010109
- J. Albertsson, S. C. Abrahams, and Å. Kvick, Acta Crystallogr. B 45, 34 (1989). ASBSDK 0108-7681 10.1107/S0108768188010109
- (1989) Acta Crystallogr. B , vol.45 , pp. 34
- Albertsson, J.¹ Abrahams, S.C.² Kvick, Å.³

45
- 0037250009
- JAPIAU 0021-8979 10.1063/1.1526935
- N. Ashkenov, B. N. Mbenkum, C. Bundesmann, V. Riede, M. Lorenz, D. Spemann, E. M. Kaidashev, A. Kasic, M. Schubert, M. Grundmann, J. Appl. Phys. 93, 126 (2003). JAPIAU 0021-8979 10.1063/1.1526935
- (2003) J. Appl. Phys. , vol.93 , pp. 126
- Ashkenov, N.¹ Mbenkum, B.N.² Bundesmann, C.³ Riede, V.⁴ Lorenz, M.⁵ Spemann, D.⁶ Kaidashev, E.M.⁷ Kasic, A.⁸ Schubert, M.⁹ Grundmann, M.¹⁰

46
- 0002350910
- D. Taylor, Trans. J. Br. Ceram. Soc. 83, 5 (1984).
- (1984) Trans. J. Br. Ceram. Soc. , vol.83 , pp. 5
- Taylor, D.¹

47
- 84926585189
- ZEKRDZ 0044-2968 10.1524/zkri.1962.117.2-3.235
- R. E. Newnham and Y. M. de Haan, Z. Kristallogr. 117, 235 (1962). ZEKRDZ 0044-2968 10.1524/zkri.1962.117.2-3.235
- (1962) Z. Kristallogr. , vol.117 , pp. 235
- Newnham, R.E.¹ De Haan, Y.M.²

48
- 0001311937
- PRBMDO 0163-1829 10.1103/PhysRevB.61.8187
- M. Schubert, T. E. Tiwald, and C. M. Herzinger, Phys. Rev. B 61, 8187 (2000). PRBMDO 0163-1829 10.1103/PhysRevB.61.8187
- (2000) Phys. Rev. B , vol.61 , pp. 8187
- Schubert, M.¹ Tiwald, T.E.² Herzinger, C.M.³

49
- 0022146240
- JACTAW 0002-7820 10.1111/j.1151-2916.1985.tb11534.x
- R. E. Hann, P. R. Suitch, and J. L. Pentecost, J. Am. Ceram. Soc. 68, C-285 (1985). JACTAW 0002-7820 10.1111/j.1151-2916.1985.tb11534.x
- (1985) J. Am. Ceram. Soc. , vol.68
- Hann, R.E.¹ Suitch, P.R.² Pentecost, J.L.³

50
- 56349135804
- MRBUAC 0025-5408 10.1016/j.materresbull.2008.03.015
- K. Kataoka, Y. Takahashi, N. Kijima, H. Nagai, J. Akimoto, Y. Idemoto, and K. Ohshima, Mater. Res. Bull. 44, 168 (2009). MRBUAC 0025-5408 10.1016/j.materresbull.2008.03.015
- (2009) Mater. Res. Bull. , vol.44 , pp. 168
- Kataoka, K.¹ Takahashi, Y.² Kijima, N.³ Nagai, H.⁴ Akimoto, J.⁵ Idemoto, Y.⁶ Ohshima, K.⁷

51
- 0000089738
- ASBSDK 0108-7681 10.1107/S0108768191006900
- K. Eichhorn, A. Kirfel, J. Grochowski, and P. Serda, Acta Crystallogr. B 47, 843 (1991). ASBSDK 0108-7681 10.1107/S0108768191006900
- (1991) Acta Crystallogr. B , vol.47 , pp. 843
- Eichhorn, K.¹ Kirfel, A.² Grochowski, J.³ Serda, P.⁴

52
- 0003426859
- (Wiley, New York).
- M. E. Levinshtein, S. L. Rumyantsev, and M. S. Shur, Properties of Advanced Semiconductor Materials: GaN, AIN, InN, BN, SiC, SiGe (Wiley, New York, 2001).
- (2001) Properties of Advanced Semiconductor Materials: GaN, AIN, InN, BN, SiC, SiGe
- Levinshtein, M.E.¹ Rumyantsev, S.L.² Shur, M.S.³

53
- 0001861891
- JACGAR 0021-8898 10.1107/S0021889875009508
- C. R. Hubbard, H. E. Swanson, and F. A. Mauer, J. Appl. Crystallogr. 8, 45 (1975). JACGAR 0021-8898 10.1107/S0021889875009508
- (1975) J. Appl. Crystallogr. , vol.8 , pp. 45
- Hubbard, C.R.¹ Swanson, H.E.² Mauer, F.A.³

54
- 0042888322
- ACCRA9 0365-110X 10.1107/S0365110X62001474
- A. S. Cooper, Acta Crystallogr. 15, 578 (1962). ACCRA9 0365-110X 10.1107/S0365110X62001474
- (1962) Acta Crystallogr. , vol.15 , pp. 578
- Cooper, A.S.¹

55
- 0000411199
- JACGAR 0021-8898 10.1107/S0021889875010965
- T. Hom, W. Kiszenik, and B. Post, J. Appl. Crystallogr. 8, 457 (1975). JACGAR 0021-8898 10.1107/S0021889875010965
- (1975) J. Appl. Crystallogr. , vol.8 , pp. 457
- Hom, T.¹ Kiszenik, W.² Post, B.³

56
- 12044249420
- PRLTAO 0031-9007 10.1103/PhysRevLett.67.2339
- S. B. Zhang and J. E. Northrup, Phys. Rev. Lett. 67, 2339 (1991). PRLTAO 0031-9007 10.1103/PhysRevLett.67.2339
- (1991) Phys. Rev. Lett. , vol.67 , pp. 2339
- Zhang, S.B.¹ Northrup, J.E.²

57
- 0037128708
- J. Lento, J.-L. Mozos, and R. M. Nieminen, J. Phys.: Condens. Matter 14, 2637 (2002).
- (2002) J. Phys.: Condens. Matter , vol.14 , pp. 2637
- Lento, J.¹ Mozos, J.-L.² Nieminen, R.M.³

58
- 41549160716
- PRBMDO 1098-0121 10.1103/PhysRevB.77.115139
- I. Dabo, B. Kozinsky, N. E. Singh-Miller, and N. Marzari, Phys. Rev. B 77, 115139 (2008). PRBMDO 1098-0121 10.1103/PhysRevB.77.115139
- (2008) Phys. Rev. B , vol.77 , pp. 115139
- Dabo, I.¹ Kozinsky, B.² Singh-Miller, N.E.³ Marzari, N.⁴

59
- 0042407508
- 1364-5021 10.1098/rspa.1935.0167
- K. Fuchs, Proc. R. Soc. A 151, 585 (1935). 1364-5021 10.1098/rspa.1935. 0167
- (1935) Proc. R. Soc. A , vol.151 , pp. 585
- Fuchs, K.¹

60
- 0031270434
- 10.1109/58.656617
- G. Fischerauer, IEEE Trans. Ultrason., Ferroelect., Freq. Contr. 44, 1179 (1997). 10.1109/58.656617
- (1997) IEEE Trans. Ultrason., Ferroelect., Freq. Contr. , vol.44 , pp. 1179
- Fischerauer, G.¹

61
- 84901474857
- 2331-7019 10.1103/PhysRevApplied.1.024005
- G. Petretto and F. Bruneval, Phys. Rev. Appl. 1, 024005 (2014). 2331-7019 10.1103/PhysRevApplied.1.024005
- (2014) Phys. Rev. Appl. , vol.1 , pp. 024005
- Petretto, G.¹ Bruneval, F.²

62
- 84884879617
- PRBMDO 1098-0121 10.1103/PhysRevB.88.115104
- W. Chen and A. Pasquarello, Phys. Rev. B 88, 115104 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.88.115104
- (2013) Phys. Rev. B , vol.88 , pp. 115104
- Chen, W.¹ Pasquarello, A.²

63
- 84880817568
- PRBMDO 1098-0121 10.1103/PhysRevB.88.035305
- Y. Hinuma, F. Oba, Y. Kumagai, and I. Tanaka, Phys. Rev. B 88, 035305 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.88.035305
- (2013) Phys. Rev. B , vol.88 , pp. 035305
- Hinuma, Y.¹ Oba, F.² Kumagai, Y.³ Tanaka, I.⁴

64
- 84871757434
- PRBMDO 1098-0121 10.1103/PhysRevB.86.245433
- Y. Hinuma, F. Oba, Y. Kumagai, and I. Tanaka, Phys. Rev. B 86, 245433 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.86.245433
- (2012) Phys. Rev. B , vol.86 , pp. 245433
- Hinuma, Y.¹ Oba, F.² Kumagai, Y.³ Tanaka, I.⁴

65
- 77957563385
- PRBMDO 1098-0121 10.1103/PhysRevB.82.104106
- W. Chen, C. Tegenkamp, H. Pfnür, and T. Bredow, Phys. Rev. B 82, 104106 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.82.104106
- (2010) Phys. Rev. B , vol.82 , pp. 104106
- Chen, W.¹ Tegenkamp, C.² Pfnür, H.³ Bredow, T.⁴

66
- 79960212425
- 1468-6996 10.1088/1468-6996/12/3/034302
- F. Oba, M. Choi, A. Togo, and I. Tanaka, Sci. Tech. Adv. Mater. 12, 034302 (2011). 1468-6996 10.1088/1468-6996/12/3/034302
- (2011) Sci. Tech. Adv. Mater. , vol.12 , pp. 034302
- Oba, F.¹ Choi, M.² Togo, A.³ Tanaka, I.⁴

67
- 77957205326
- JCOMEL 0953-8984 10.1088/0953-8984/22/38/384211
- F. Oba, M. Choi, A. Togo, A. Seko, and I. Tanaka, J. Phys.: Condens. Matter 22, 384211 (2010). JCOMEL 0953-8984 10.1088/0953-8984/22/38/384211
- (2010) J. Phys.: Condens. Matter , vol.22 , pp. 384211
- Oba, F.¹ Choi, M.² Togo, A.³ Seko, A.⁴ Tanaka, I.⁵

68
- 42749101215
- First principles analysis of the stability and diffusion of oxygen vacancies in metal oxides
- DOI 10.1103/PhysRevLett.93.225502, 225502
- J. Carrasco, N. Lopez, and F. Illas, Phys. Rev. Lett. 93, 225502 (2004). PRLTAO 0031-9007 10.1103/PhysRevLett.93.225502 (Pubitemid 40072796)
- (2004) Physical Review Letters , vol.93 , Issue.22 , pp. 2255021-2255024
- Carrasco, J.¹ Lopez, N.² Illas, F.³

69
- 35848929510
- PRBMDO 1098-0121 10.1103/PhysRevB.76.184103
- C. A. Gilbert, S. D. Kenny, R. Smith, and E. Sanville, Phys. Rev. B 76, 184103 (2007). PRBMDO 1098-0121 10.1103/PhysRevB.76.184103
- (2007) Phys. Rev. B , vol.76 , pp. 184103
- Gilbert, C.A.¹ Kenny, S.D.² Smith, R.³ Sanville, E.⁴

70
- 84873681454
- JAPIAU 0021-8979 10.1063/1.4784114
- M. Choi, A. Janotti, and C. G. Van de Walle, J. Appl. Phys. 113, 044501 (2013). JAPIAU 0021-8979 10.1063/1.4784114
- (2013) J. Appl. Phys. , vol.113 , pp. 044501
- Choi, M.¹ Janotti, A.² Van De Walle, C.G.³

71
- 0001059762
- PRBMDO 0163-1829 10.1103/PhysRevB.58.1318
- M. J. Puska, S. Pöykkö, M. Pesola, and R. M. Nieminen, Phys. Rev. B 58, 1318 (1998). PRBMDO 0163-1829 10.1103/PhysRevB.58.1318
- (1998) Phys. Rev. B , vol.58 , pp. 1318
- Puska, M.J.¹ Pöykkö, S.² Pesola, M.³ Nieminen, R.M.⁴

72
- 33745257027
- Theory of defect levels and the "band gap problem" in silicon
- DOI 10.1103/PhysRevLett.96.246401
- P. A. Schultz, Phys. Rev. Lett. 96, 246401 (2006). PRLTAO 0031-9007 10.1103/PhysRevLett.96.246401 (Pubitemid 43926996)
- (2006) Physical Review Letters , vol.96 , Issue.24 , pp. 246401
- Schultz, P.A.¹

73
- 79961214921
- PRBMDO 1098-0121 10.1103/PhysRevB.84.035209
- F. Corsetti and A. A. Mostofi, Phys. Rev. B 84, 035209 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.84.035209
- (2011) Phys. Rev. B , vol.84 , pp. 035209
- Corsetti, F.¹ Mostofi, A.A.²

74
- 70949097939
- MSMEEU 0965-0393 10.1088/0965-0393/17/8/084007
- P. A. Schultz and O. A. von Lilienfeld, Modell. Simul. Mater. Sci. Eng. 17, 084007 (2009). MSMEEU 0965-0393 10.1088/0965-0393/17/8/084007
- (2009) Modell. Simul. Mater. Sci. Eng. , vol.17 , pp. 084007
- Schultz, P.A.¹ Von Lilienfeld, O.A.²

75
- 15444365056
- Density-functional calculations of defect formation energies using supercell methods: Defects in diamond
- DOI 10.1103/PhysRevB.71.035206, 035206
- J. Shim, E.-K. Lee, Y. J. Lee, and R. M. Nieminen, Phys. Rev. B 71, 035206 (2005). PRBMDO 1098-0121 10.1103/PhysRevB.71.035206 (Pubitemid 40396403)
- (2005) Physical Review B - Condensed Matter and Materials Physics , vol.71 , Issue.3 , pp. 1-12
- Shim, J.¹ Lee, E.-K.² Lee, Y.J.³ Nieminen, R.M.⁴

76
- 1842816907
- 0556-2805 10.1103/PhysRevB.13.5188
- 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

77
- 84885416559
- PRBMDO 1098-0121 10.1103/PhysRevB.88.134102
- C. Varvenne, F. Bruneval, M.-C. Marinica, and E. Clouet, Phys. Rev. B 88, 134102 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.88.134102
- (2013) Phys. Rev. B , vol.88 , pp. 134102
- Varvenne, C.¹ Bruneval, F.² Marinica, M.-C.³ Clouet, E.⁴

78
- 43749120253
- VESTA: A three-dimensional visualization system for electronic and structural analysis
- DOI 10.1107/S0021889808012016, PII S0021889808012016
- K. Momma and F. Izumi, J. Appl. Crystallogr. 41, 653 (2008). JACGAR 0021-8898 10.1107/S0021889808012016 (Pubitemid 351693898)
- (2008) Journal of Applied Crystallography , vol.41 , Issue.3 , pp. 653-658
- Momma, K.¹ Izumi, F.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.