SCOPUS 정보 검색 플랫폼

Physical Review B - Condensed Matter and Materials Physics

Volumn 79, Issue 23, 2009, Pages

Revisiting magnetic coupling in transition-metal-benzene complexes with maximally localized Wannier functions

(3) Weng, Hongming a Ozaki, Taisuke a Terakura, Kiyoyuki a

a JAPAN ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 67650074878 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.79.235118 Document Type: Article

Times cited : (76)

References (33)

1
- 4243690324
- 10.1103/PhysRevB.56.12847
- N. Marzari and D. Vanderbilt, Phys. Rev. B 56, 12847 (1997). 10.1103/PhysRevB.56.12847
- (1997) Phys. Rev. B , vol.56 , pp. 12847
- Marzari, N.¹ Vanderbilt, D.²

2
- 0037080517
- 10.1103/PhysRevB.65.035109
- I. Souza, N. Marzari, and D. Vanderbilt, Phys. Rev. B 65, 035109 (2001). 10.1103/PhysRevB.65.035109
- (2001) Phys. Rev. B , vol.65 , pp. 035109
- Souza, I.¹ Marzari, N.² Vanderbilt, D.³

3
- 0034670864
- 10.1103/PhysRevB.62.R16219
- O. K. Andersen and T. Saha-Dasgupta, Phys. Rev. B 62, R16219 (2000). 10.1103/PhysRevB.62.R16219
- (2000) Phys. Rev. B , vol.62 , pp. 16219
- Andersen, O.K.¹ Saha-Dasgupta, T.²

4
- 24344480915
- 10.1088/1367-2630/7/1/188
- E. Pavarini, A. Yamasaki, J. Nuss, and O. K. Andersen, New J. Phys. 7, 188 (2005). 10.1088/1367-2630/7/1/188
- (2005) New J. Phys. , vol.7 , pp. 188
- Pavarini, E.¹ Yamasaki, A.² Nuss, J.³ Andersen, O.K.⁴

5
- 40849104936
- 10.1103/PhysRevB.77.085122
- T. Miyake and F. Aryasetiawan, Phys. Rev. B 77, 085122 (2008). 10.1103/PhysRevB.77.085122
- (2008) Phys. Rev. B , vol.77 , pp. 085122
- Miyake, T.¹ Aryasetiawan, F.²

6
- 33845803184
- 10.1103/PhysRevB.74.235113
- K. Nakamura, R. Arita, Y. Yoshimoto, and S. Tsuneyuki, Phys. Rev. B 74, 235113 (2006). 10.1103/PhysRevB.74.235113
- (2006) Phys. Rev. B , vol.74 , pp. 235113
- Nakamura, K.¹ Arita, R.² Yoshimoto, Y.³ Tsuneyuki, S.⁴

7
- 0037084851
- 10.1103/PhysRevB.65.075103
- I. Schnell, G. Czycholl, and R. C. Albers, Phys. Rev. B 65, 075103 (2002). 10.1103/PhysRevB.65.075103
- (2002) Phys. Rev. B , vol.65 , pp. 075103
- Schnell, I.¹ Czycholl, G.² Albers, R.C.³

8
- 33749260188
- 10.1103/PhysRevB.74.125120
- F. Lechermann, A. Georges, A. Poteryaev, S. Biermann, M. Posternak, A. Yamasaki, and O. K. Andersen, Phys. Rev. B 74, 125120 (2006). 10.1103/PhysRevB.74.125120
- (2006) Phys. Rev. B , vol.74 , pp. 125120
- Lechermann, F.¹ Georges, A.² Poteryaev, A.³ Biermann, S.⁴ Posternak, M.⁵ Yamasaki, A.⁶ Andersen, O.K.⁷

9
- 34347361655
- 10.1103/PhysRevB.75.195121
- J. R. Yates, X. Wang, D. Vanderbilt, and I. Souza, Phys. Rev. B 75, 195121 (2007). 10.1103/PhysRevB.75.195121
- (2007) Phys. Rev. B , vol.75 , pp. 195121
- Yates, J.R.¹ Wang, X.² Vanderbilt, D.³ Souza, I.⁴

10
- 33751253456
- 10.1103/PhysRevB.74.195118
- X. Wang, J. R. Yates, I. Souza, and D. Vanderbilt, Phys. Rev. B 74, 195118 (2006). 10.1103/PhysRevB.74.195118
- (2006) Phys. Rev. B , vol.74 , pp. 195118
- Wang, X.¹ Yates, J.R.² Souza, I.³ Vanderbilt, D.⁴

11
- 36049030269
- 10.1103/PhysRevB.76.195109
- X. Wang, D. Vanderbilt, J. R. Yates, and I. Souza, Phys. Rev. B 76, 195109 (2007). 10.1103/PhysRevB.76.195109
- (2007) Phys. Rev. B , vol.76 , pp. 195109
- Wang, X.¹ Vanderbilt, D.² Yates, J.R.³ Souza, I.⁴

12
- 35148858429
- 10.1103/PhysRevB.76.165108
- F. Giustino, M. L. Cohen, and S. G. Louie, Phys. Rev. B 76, 165108 (2007). 10.1103/PhysRevB.76.165108
- (2007) Phys. Rev. B , vol.76 , pp. 165108
- Giustino, F.¹ Cohen, M.L.² Louie, S.G.³

13
- 33846514567
- 10.1103/PhysRevLett.98.047005
- F. Giustino, J. R. Yates, I. Souza, M. L. Cohen, and S. G. Louie, Phys. Rev. Lett. 98, 047005 (2007). 10.1103/PhysRevLett.98.047005
- (2007) Phys. Rev. Lett. , vol.98 , pp. 047005
- Giustino, F.¹ Yates, J.R.² Souza, I.³ Cohen, M.L.⁴ Louie, S.G.⁵

14
- 67650058671
- http://www.openmx-square.org/

15
- 38349049499
- 10.1143/JPSJ.77.014301
- H. Weng, T. Ozaki, and K. Terakura, J. Phys. Soc. Jpn. 77, 014301 (2008). 10.1143/JPSJ.77.014301
- (2008) J. Phys. Soc. Jpn. , vol.77 , pp. 014301
- Weng, H.¹ Ozaki, T.² Terakura, K.³

16
- 54349103241
- 10.1143/JPSJ.77.064301
- H. Weng, T. Ozaki, and K. Terakura, J. Phys. Soc. Jpn. 77, 064301 (2008). 10.1143/JPSJ.77.064301
- (2008) J. Phys. Soc. Jpn. , vol.77 , pp. 064301
- Weng, H.¹ Ozaki, T.² Terakura, K.³

17
- 34447526592
- 10.1021/ja070137q
- K. Miyajima, S. Yabushita, M. B. Knickelbein, and A. Nakajima, J. Am. Chem. Soc. 129, 8473 (2007). 10.1021/ja070137q
- (2007) J. Am. Chem. Soc. , vol.129 , pp. 8473
- Miyajima, K.¹ Yabushita, S.² Knickelbein, M.B.³ Nakajima, A.⁴

18
- 33748674458
- 10.1103/PhysRevLett.97.097201
- V. V. Maslyuk, A. Bagrets, V. Meded, A. Arnold, F. Evers, M. Brandbyge, T. Bredow, and I. Mertig, Phys. Rev. Lett. 97, 097201 (2006). 10.1103/PhysRevLett.97.097201
- (2006) Phys. Rev. Lett. , vol.97 , pp. 097201
- Maslyuk, V.V.¹ Bagrets, A.² Meded, V.³ Arnold, A.⁴ Evers, F.⁵ Brandbyge, M.⁶ Bredow, T.⁷ Mertig, I.⁸

19
- 33644542072
- 10.1021/ja054751i
- H. Xiang, J. Yang, J. G. Hou, and Q. Zhu, J. Am. Chem. Soc. 128, 2310 (2006). 10.1021/ja054751i
- (2006) J. Am. Chem. Soc. , vol.128 , pp. 2310
- Xiang, H.¹ Yang, J.² Hou, J.G.³ Zhu, Q.⁴

20
- 0035627706
- 10.1143/JPSJ.70.1433
- J. Kanamori and K. Terakura, J. Phys. Soc. Jpn. 70, 1433 (2001). 10.1143/JPSJ.70.1433
- (2001) J. Phys. Soc. Jpn. , vol.70 , pp. 1433
- Kanamori, J.¹ Terakura, K.²

21
- 41949118958
- 10.1016/j.cpc.2007.11.016
- A. A. Mostofi, J. R. Yates, Y.-S. Lee, I. Souza, D. Vanderbilt, and N. Marzari, Comput. Phys. Commun. 178, 685 (2008). 10.1016/j.cpc.2007.11.016
- (2008) Comput. Phys. Commun. , vol.178 , pp. 685
- Mostofi, A.A.¹ Yates, J.R.² Lee, Y.-S.³ Souza, I.⁴ Vanderbilt, D.⁵ Marzari, N.⁶

22
- 67650008160
- http://www.wannier.org/

23
- 36149021109
- 10.1103/PhysRev.115.809
- W. Kohn, Phys. Rev. 115, 809 (1959). 10.1103/PhysRev.115.809
- (1959) Phys. Rev. , vol.115 , pp. 809
- Kohn, W.¹

24
- 77956944547
- edited by F. Seitz and D. Turnbull (Academic, New York
- E. I. Blount, Solid State Physics, edited by, F. Seitz, and, D. Turnbull, (Academic, New York, 1962), Vol. 13, p. 305.
- (1962) Solid State Physics , vol.13 , pp. 305
- Blount, E.I.¹

25
- 0037495068
- 10.1103/PhysRevB.67.155108;
- T. Ozaki, Phys. Rev. B 67, 155108 (2003) 10.1103/PhysRevB.67.155108
- (2003) Phys. Rev. B , vol.67 , pp. 155108
- Ozaki, T.¹

26
- 42749105530
- 10.1103/PhysRevB.69.195113;
- T. Ozaki and H. Kino, Phys. Rev. B 69, 195113 (2004) 10.1103/PhysRevB.69. 195113
- (2004) Phys. Rev. B , vol.69 , pp. 195113
- Ozaki, T.¹ Kino, H.²

27
- 11144352294
- 10.1063/1.1794591;
- T. Ozaki and H. Kino, J. Chem. Phys. 121, 10879 (2004) 10.1063/1.1794591
- (2004) J. Chem. Phys. , vol.121 , pp. 10879
- Ozaki, T.¹ Kino, H.²

28
- 33749233623
- 10.1103/PhysRevB.72.045121
- T. Ozaki and H. Kino, Phys. Rev. B 72, 045121 (2005). 10.1103/PhysRevB.72.045121
- (2005) Phys. Rev. B , vol.72 , pp. 045121
- Ozaki, T.¹ Kino, H.²

29
- 4243943295
- 10.1103/PhysRevLett.77.3865
- J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

30
- 0037171091
- 10.1088/0953-8984/14/11/302
- J. M. Soler, E. Artacho, J. D. Gale, A. Garcia, J. Junquera, P. Ordejon, and D. Sanchez-Portal, J. Phys.: Condens. Matter 14, 2745 (2002), and references therein. 10.1088/0953-8984/14/11/302
- (2002) J. Phys.: Condens. Matter , vol.14 , pp. 2745
- Soler, J.M.¹ Artacho, E.² Gale, J.D.³ Garcia, A.⁴ Junquera, J.⁵ Ordejon, P.⁶ Sanchez-Portal, D.⁷

31
- 33144468170
- 10.1103/PhysRevB.73.045110
- M. J. Han, T. Ozaki, and J. Yu, Phys. Rev. B 73, 045110 (2006). 10.1103/PhysRevB.73.045110
- (2006) Phys. Rev. B , vol.73 , pp. 045110
- Han, M.J.¹ Ozaki, T.² Yu, J.³

32
- 67650055651
- Another discrepancy exists in the dπ band near X point instead of Γ point in dσ band due to the similar reason. dπ orbitals have increased hybridization strength with another unoccupied MO close to LUMO+2 from Γ to X, while this unoccupied MO is discarded during disentangling.
- Another discrepancy exists in the dπ band near X point instead of Γ point in dσ band due to the similar reason. dπ orbitals have increased hybridization strength with another unoccupied MO close to LUMO+2 from Γ to X, while this unoccupied MO is discarded during disentangling.

33
- 47949125756
- This statement is not valid if spin-orbit coupling is included. See also 10.1103/PhysRevB.78.035120
- This statement is not valid if spin-orbit coupling is included. See also F. Freimuth, Y. Mokrousov, D. Wortmann, S. Heinze, and S. Blugel, Phys. Rev. B 78, 035120 (2008). 10.1103/PhysRevB.78.035120
- (2008) Phys. Rev. B , vol.78 , pp. 035120
- Freimuth, F.¹ Mokrousov, Y.² Wortmann, D.³ Heinze, S.⁴ Blugel, S.⁵

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.