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Physical Review B - Condensed Matter and Materials Physics

Volumn 82, Issue 20, 2010, Pages

Real-space electronic structure calculations with full-potential all-electron precision for transition metals

(6) Ono, Tomoya a Heide, Marcus a Atodiresei, Nicolae b Baumeister, Paul b Tsukamoto, Shigeru b Blügel, Stefan b

a OSAKA UNIVERSITY (Japan)

b FORSCHUNGSZENTRUM JÜLICH (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 78649758714 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.82.205115 Document Type: Article

Times cited : (55)

References (38)

1
- 10644250257
- 10.1103/PhysRev.136.B864
- P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). 10.1103/PhysRev.136.B864
- (1964) Phys. Rev. , vol.136 , pp. 864
- Hohenberg, P.¹ Kohn, W.²

2
- 0034336263
- 10.1103/RevModPhys.72.1041, and references therein.
- T. L. Beck, Rev. Mod. Phys. 72, 1041 (2000) 10.1103/RevModPhys.72.1041
- (2000) Rev. Mod. Phys. , vol.72 , pp. 1041
- Beck, T.L.¹

3
- 3843133047
- 10.1103/PhysRevLett.72.1240
- J. R. Chelikowsky, N. Troullier, and Y. Saad, Phys. Rev. Lett. 72, 1240 (1994). 10.1103/PhysRevLett.72.1240
- (1994) Phys. Rev. Lett. , vol.72 , pp. 1240
- Chelikowsky, J.R.¹ Troullier, N.² Saad, Y.³

4
- 0001360121
- 10.1103/PhysRevB.50.11355
- J. R. Chelikowsky, N. Troullier, K. Wu, and Y. Saad, Phys. Rev. B 50, 11355 (1994). 10.1103/PhysRevB.50.11355
- (1994) Phys. Rev. B , vol.50 , pp. 11355
- Chelikowsky, J.R.¹ Troullier, N.² Wu, K.³ Saad, Y.⁴

5
- 84995476612
- Imperial College Press, London, 10.1142/9781860946530
- K. Hirose, T. Ono, Y. Fujimoto, and S. Tsukamoto, First-Principles Calculations in Real-Space Formalism: Electronic Configurations and Transport Properties of Nanostructures (Imperial College Press, London, 2005). 10.1142/9781860946530
- (2005) First-Principles Calculations in Real-Space Formalism: Electronic Configurations and Transport Properties of Nanostructures
- Hirose, K.¹ Ono, T.² Fujimoto, Y.³ Tsukamoto, S.⁴

6
- 0000674491
- 10.1103/PhysRevB.39.5819
- S. R. White, J. W. Wilkins, and M. P. Teter, Phys. Rev. B 39, 5819 (1989). 10.1103/PhysRevB.39.5819
- (1989) Phys. Rev. B , vol.39 , pp. 5819
- White, S.R.¹ Wilkins, J.W.² Teter, M.P.³

7
- 24144475862
- 10.1088/0965-0393/13/3/R01, and references therein.
- J. E. Pask and P. A. Sterne, Modell. Simul. Mater. Sci. Eng. 13, R71 (2005) 10.1088/0965-0393/13/3/R01
- (2005) Modell. Simul. Mater. Sci. Eng. , vol.13 , pp. 71
- Pask, J.E.¹ Sterne, P.A.²

8
- 12044256405
- 10.1103/PhysRevLett.71.1808
- K. Cho, T. A. Arias, J. D. Joannopoulos, and P. K. Lam, Phys. Rev. Lett. 71, 1808 (1993). 10.1103/PhysRevLett.71.1808
- (1993) Phys. Rev. Lett. , vol.71 , pp. 1808
- Cho, K.¹ Arias, T.A.² Joannopoulos, J.D.³ Lam, P.K.⁴

9
- 0042113153
- 10.1103/PhysRev.140.A1133
- W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
- (1965) Phys. Rev. , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

10
- 24544460330
- 10.1103/PhysRevLett.43.1494;
- D. R. Hamann, M. Schlüter, and C. Chiang, Phys. Rev. Lett. 43, 1494 (1979) 10.1103/PhysRevLett.43.1494
- (1979) Phys. Rev. Lett. , vol.43 , pp. 1494
- Hamann, D.R.¹ Schlüter, M.² Chiang, C.³

11
- 3743048569
- 10.1103/PhysRevB.26.4199
- G. B. Bachelet, D. R. Hamann, and M. Schlüter, Phys. Rev. B 26, 4199 (1982). 10.1103/PhysRevB.26.4199
- (1982) Phys. Rev. B , vol.26 , pp. 4199
- Bachelet, G.B.¹ Hamann, D.R.² Schlüter, M.³

12
- 33645426115
- 10.1103/PhysRevB.43.1993
- N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991). 10.1103/PhysRevB.43.1993
- (1991) Phys. Rev. B , vol.43 , pp. 1993
- Troullier, N.¹ Martins, J.L.²

13
- 0000328286
- 10.1103/PhysRevB.52.R5471
- E. L. Briggs, D. J. Sullivan, and J. Bernholc, Phys. Rev. B 52, R5471 (1995). 10.1103/PhysRevB.52.R5471
- (1995) Phys. Rev. B , vol.52 , pp. 5471
- Briggs, E.L.¹ Sullivan, D.J.² Bernholc, J.³

14
- 0000054413
- 10.1103/PhysRevB.54.14362
- E. L. Briggs, D. J. Sullivan, and J. Bernholc, Phys. Rev. B 54, 14362 (1996). 10.1103/PhysRevB.54.14362
- (1996) Phys. Rev. B , vol.54 , pp. 14362
- Briggs, E.L.¹ Sullivan, D.J.² Bernholc, J.³

15
- 18344384486
- 10.1103/PhysRevLett.82.5016
- T. Ono and K. Hirose, Phys. Rev. Lett. 82, 5016 (1999). 10.1103/PhysRevLett.82.5016
- (1999) Phys. Rev. Lett. , vol.82 , pp. 5016
- Ono, T.¹ Hirose, K.²

16
- 33749158829
- 10.1103/PhysRevB.72.085115
- T. Ono and K. Hirose, Phys. Rev. B 72, 085115 (2005). 10.1103/PhysRevB.72.085115
- (2005) Phys. Rev. B , vol.72 , pp. 085115
- Ono, T.¹ Hirose, K.²

17
- 0000544586
- 10.1103/PhysRevB.52.R2229
- F. Gygi and G. Galli, Phys. Rev. B 52, R2229 (1995). 10.1103/PhysRevB.52. R2229
- (1995) Phys. Rev. B , vol.52 , pp. 2229
- Gygi, F.¹ Galli, G.²

18
- 0002466739
- 10.1006/jcph.1998.6138
- J.-L. Fattebert, J. Comput. Phys. 149, 75 (1999). 10.1006/jcph.1998.6138
- (1999) J. Comput. Phys. , vol.149 , pp. 75
- Fattebert, J.-L.¹

19
- 1942454794
- 10.1002/jcc.20008
- R. Schmid, J. Comput. Chem. 25, 799 (2004). 10.1002/jcc.20008
- (2004) J. Comput. Chem. , vol.25 , pp. 799
- Schmid, R.¹

20
- 0033246389
- 10.1103/RevModPhys.71.1085, and references therein.
- S. Goedecker, Rev. Mod. Phys. 71, 1085 (1999) 10.1103/RevModPhys.71.1085
- (1999) Rev. Mod. Phys. , vol.71 , pp. 1085
- Goedecker, S.¹

21
- 0037826934
- 10.1103/PhysRevB.67.195315;
- Y. Fujimoto and K. Hirose, Phys. Rev. B 67, 195315 (2003) 10.1103/PhysRevB.67.195315
- (2003) Phys. Rev. B , vol.67 , pp. 195315
- Fujimoto, Y.¹ Hirose, K.²

22
- 45849155294
- 10.1103/PhysRevB.70.033403
- T. Ono and K. Hirose, Phys. Rev. B 70, 033403 (2004). 10.1103/PhysRevB.70.033403
- (2004) Phys. Rev. B , vol.70 , pp. 033403
- Ono, T.¹ Hirose, K.²

23
- 33645608533
- 10.1088/0022-3719/12/21/009
- J. Ihm, A. Zunger, and M. L. Cohen, J. Phys. C 12, 4409 (1979). 10.1088/0022-3719/12/21/009
- (1979) J. Phys. C , vol.12 , pp. 4409
- Ihm, J.¹ Zunger, A.² Cohen, M.L.³

24
- 20544463457
- 10.1103/PhysRevB.41.7892
- D. Vanderbilt, Phys. Rev. B 41, 7892 (1990). 10.1103/PhysRevB.41.7892
- (1990) Phys. Rev. B , vol.41 , pp. 7892
- Vanderbilt, D.¹

25
- 33749512386
- 10.1016/0031-8914(47)90013-X;
- J. Korringa, Physica 13, 392 (1947) 10.1016/0031-8914(47)90013-X
- (1947) Physica , vol.13 , pp. 392
- Korringa, J.¹

26
- 36149025490
- 10.1103/PhysRev.94.1111
- W. Kohn and N. Rostoker, Phys. Rev. 94, 1111 (1954). 10.1103/PhysRev.94. 1111
- (1954) Phys. Rev. , vol.94 , pp. 1111
- Kohn, W.¹ Rostoker, N.²

27
- 35949018705
- 10.1103/PhysRevB.24.864
- E. Wimmer, H. Krakauer, M. Weinert, and A. J. Freeman, Phys. Rev. B 24, 864 (1981). 10.1103/PhysRevB.24.864
- (1981) Phys. Rev. B , vol.24 , pp. 864
- Wimmer, E.¹ Krakauer, H.² Weinert, M.³ Freeman, A.J.⁴

28
- 78649743735
- We employed FLEUR code. For program description see
- We employed FLEUR code. For program description see http://www.flapw.de

29
- 25744460922
- 10.1103/PhysRevB.50.17953
- P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50. 17953
- (1994) Phys. Rev. B , vol.50 , pp. 17953
- Blöchl, P.E.¹

30
- 15444377222
- 10.1103/PhysRevB.71.035109
- J. J. Mortensen, L. B. Hansen, and K. W. Jacobsen, Phys. Rev. B 71, 035109 (2005). 10.1103/PhysRevB.71.035109
- (2005) Phys. Rev. B , vol.71 , pp. 035109
- Mortensen, J.J.¹ Hansen, L.B.² Jacobsen, K.W.³

31
- 0000216001
- 10.1139/p80-159
- S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 58, 1200 (1980). 10.1139/p80-159
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

32
- 33847330371
- 10.1103/PhysRevB.43.947
- S. Takizawa, S. Blügel, K. Terakura, and T. Oguchi, Phys. Rev. B 43, 947 (1991). 10.1103/PhysRevB.43.947
- (1991) Phys. Rev. B , vol.43 , pp. 947
- Takizawa, S.¹ Blügel, S.² Terakura, K.³ Oguchi, T.⁴

33
- 0000881930
- 10.1103/PhysRevB.44.13063
- R. D. King-Smith, M. C. Payne, and J. S. Lin, Phys. Rev. B 44, 13063 (1991). 10.1103/PhysRevB.44.13063
- (1991) Phys. Rev. B , vol.44 , pp. 13063
- King-Smith, R.D.¹ Payne, M.C.² Lin, J.S.³

34
- 0011236321
- 10.1103/PhysRevB.59.1758
- G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
- (1999) Phys. Rev. B , vol.59 , pp. 1758
- Kresse, G.¹ Joubert, D.²

35
- 57149138951
- 10.1063/1.3026506
- H. Takahashi, H. Ohno, R. Kishi, M. Nakano, and N. Matubayasi, J. Chem. Phys. 129, 205103 (2008). 10.1063/1.3026506
- (2008) J. Chem. Phys. , vol.129 , pp. 205103
- Takahashi, H.¹ Ohno, H.² Kishi, R.³ Nakano, M.⁴ Matubayasi, N.⁵

36
- 0001161603
- 10.1103/PhysRevLett.48.1425
- L. Kleinman and D. M. Bylander, Phys. Rev. Lett. 48, 1425 (1982). 10.1103/PhysRevLett.48.1425
- (1982) Phys. Rev. Lett. , vol.48 , pp. 1425
- Kleinman, L.¹ Bylander, D.M.²

37
- 78649745321
- Pseudopotentials are taken from electronic structure code for materials properties and processes (ESTCOMPP) code. For program description see
- Pseudopotentials are taken from electronic structure code for materials properties and processes (ESTCOMPP) code. For program description see http://www.planewave.de

38
- 0035134039
- We used simulation tool for atom technology (STATE) code. For program description see, 10.1103/PhysRevB.63.033405
- We used simulation tool for atom technology (STATE) code. For program description see Y. Morikawa, Phys. Rev. B 63, 033405 (2001). 10.1103/PhysRevB.63.033405
- (2001) Phys. Rev. B , vol.63 , pp. 033405
- Morikawa, Y.¹

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