SCOPUS 정보 검색 플랫폼

Physical Review B - Condensed Matter and Materials Physics

Volumn 79, Issue 8, 2009, Pages

Density functional study of the magnetic coupling in v (TCNE) 2

(4) De Fusco, Giulia C a Pisani, Leonardo a Montanari, Barbara b Harrison, Nicholas M a,c

a IMPERIAL COLLEGE LONDON (United Kingdom)

b RUTHERFORD APPLETON LABORATORY (United Kingdom)

c DARESBURY LABORATORY (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 60949091677 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.79.085201 Document Type: Article

Times cited : (37)

References (59)

1
- 33748886713
- 10.1002/anie.199403851
- J. S. Miller and A. J. Epstein, Angew. Chem., Int. Ed. Engl. 33, 385 (1994), and references therein. 10.1002/anie.199403851
- (1994) Angew. Chem., Int. Ed. Engl. , vol.33 , pp. 385
- Miller, J.S.¹ Epstein, A.J.²

2
- 0034315237
- J. S. Miller and A. J. Epstein, MRS Bull. 25, 21 (2000), and references therein.
- (2000) MRS Bull. , vol.25 , pp. 21
- Miller, J.S.¹ Epstein, A.J.²

3
- 0026418902
- 10.1126/science.252.5011.1415
- J. M. Manriquez, G. T. Yee, R. S. McLean, A. J. Epstein, and J. S. Miller, Science 252, 1415 (1991). 10.1126/science.252.5011.1415
- (1991) Science , vol.252 , pp. 1415
- Manriquez, J.M.¹ Yee, G.T.² McLean, R.S.³ Epstein, A.J.⁴ Miller, J.S.⁵

4
- 0000320335
- 10.1103/PhysRevB.58.8508
- C. M. Wynn, M. A. Girtu, J. Zhang, J. S. Miller, and A. J. Epstein, Phys. Rev. B 58, 8508 (1998). 10.1103/PhysRevB.58.8508
- (1998) Phys. Rev. B , vol.58 , pp. 8508
- Wynn, C.M.¹ Girtu, M.A.² Zhang, J.³ Miller, J.S.⁴ Epstein, A.J.⁵

5
- 0001558329
- 10.1103/PhysRevB.61.492
- M. A. GîrŢu, C. M. Wynn, J. Zhang, J. S. Miller, and A. J. Epstein, Phys. Rev. B 61, 492 (2000). 10.1103/PhysRevB.61.492
- (2000) Phys. Rev. B , vol.61 , pp. 492
- Gîrţu, M.A.¹ Wynn, C.M.² Zhang, J.³ Miller, J.S.⁴ Epstein, A.J.⁵

6
- 0033803279
- 10.1021/cm9904279
- D. de Caro, M. Basso-Bert, J. Sakah, H. Casellas, J.-P. Legros, L. Valade, and P. Cassoux, Chem. Mater. 12, 587 (2000). 10.1021/cm9904279
- (2000) Chem. Mater. , vol.12 , pp. 587
- De Caro, D.¹ Basso-Bert, M.² Sakah, J.³ Casellas, H.⁴ Legros, J.-P.⁵ Valade, L.⁶ Cassoux, P.⁷

7
- 0033875330
- 10.1002/(SICI)1521-4095(200003)12:6<410::AID-ADMA410>3.0.CO;2-B
- K. I. Pokhodnya, A. J. Epstein, and J. S. Miller, Adv. Mater. (Weinheim, Ger.) 12, 410 (2000). 10.1002/(SICI)1521-4095(200003)12:6<410::AID- ADMA410>3.0.CO;2-B
- (2000) Adv. Mater. (Weinheim, Ger.) , vol.12 , pp. 410
- Pokhodnya, K.I.¹ Epstein, A.J.² Miller, J.S.³

8
- 0000843196
- 10.1039/a800922h
- J. S. Miller and A. J. Epstein, Chem. Commun. 1998, 1319, and references therein. 10.1039/a800922h
- Chem. Commun. , vol.1998 , pp. 1319
- Miller, J.S.¹ Epstein, A.J.²

9
- 0034897023
- 10.1103/PhysRevB.63.174408
- K. I. Pokhodnya, D. Pejakovic, A. J. Epstein, and J. S. Miller, Phys. Rev. B 63, 174408 (2001). 10.1103/PhysRevB.63.174408
- (2001) Phys. Rev. B , vol.63 , pp. 174408
- Pokhodnya, K.I.¹ Pejakovic, D.² Epstein, A.J.³ Miller, J.S.⁴

10
- 33846828308
- 10.1103/PhysRevB.75.064407
- M. P. de Jong, C. Tengstedt, A. Kanciurzewska, E. Carlegrim, W. R. Salaneck, and M. Fahlman, Phys. Rev. B 75, 064407 (2007). 10.1103/PhysRevB.75. 064407
- (2007) Phys. Rev. B , vol.75 , pp. 064407
- De Jong, M.P.¹ Tengstedt, C.² Kanciurzewska, A.³ Carlegrim, E.⁴ Salaneck, W.R.⁵ Fahlman, M.⁶

11
- 34250647309
- 10.1002/chem.200600965
- D. de Caro, C. Faulmann, and L. Valade, Chem.-Eur. J. 13, 1650 (2007). 10.1002/chem.200600965
- (2007) Chem.-Eur. J. , vol.13 , pp. 1650
- De Caro, D.¹ Faulmann, C.² Valade, L.³

12
- 0037015309
- 10.1002/1521-4095(20020903)14:17<1230::AID-ADMA1230>3.0.CO;2-5
- V. N. Prigodin, P. R. Nandyala, K. I. Pokhodnya, J. S. Miller, and A. J. Epstein, Adv. Mater. (Weinheim, Ger.) 14, 1230 (2002). 10.1002/1521- 4095(20020903)14:17<1230::AID-ADMA1230>3.0.CO;2-5
- (2002) Adv. Mater. (Weinheim, Ger.) , vol.14 , pp. 1230
- Prigodin, V.N.¹ Nandyala, P.R.² Pokhodnya, K.I.³ Miller, J.S.⁴ Epstein, A.J.⁵

13
- 0037639039
- 10.1063/1.1556120
- N. P. Raju, T. Savrin, V. N. Prigodin, K. I. Pokhodnya, J. S. Miller, and A. J. Epstein, J. Appl. Phys. 93, 6799 (2003). 10.1063/1.1556120
- (2003) J. Appl. Phys. , vol.93 , pp. 6799
- Raju, N.P.¹ Savrin, T.² Prigodin, V.N.³ Pokhodnya, K.I.⁴ Miller, J.S.⁵ Epstein, A.J.⁶

14
- 37649028678
- 10.1103/PhysRevB.70.054422
- D. Haskel, Z. Islam, J. Lang, C. Kmety, G. Srajer, K. I. Pokhodnya, A. J. Epstein, and J. S. Miller, Phys. Rev. B 70, 054422 (2004). 10.1103/PhysRevB.70. 054422
- (2004) Phys. Rev. B , vol.70 , pp. 054422
- Haskel, D.¹ Islam, Z.² Lang, J.³ Kmety, C.⁴ Srajer, G.⁵ Pokhodnya, K.I.⁶ Epstein, A.J.⁷ Miller, J.S.⁸

15
- 23044488938
- 10.1016/S0379-6779(02)00850-0
- V. N. Prigodin, N. P. Raju, K. I. Pokhodnya, J. S. Miller, and A. J. Epstein, Synth. Met. 135-136, 87 (2003). 10.1016/S0379-6779(02)00850-0
- (2003) Synth. Met. , vol.135-136 , pp. 87
- Prigodin, V.N.¹ Raju, N.P.² Pokhodnya, K.I.³ Miller, J.S.⁴ Epstein, A.J.⁵

16
- 0035900398
- 10.1126/science.1065389
- S. A. Wolf, D. D. Awschalom, R. A. Buhrman, J. M. Daughton, S. von Molnár, M. L. Roukes, A. Y. Chtchelkanove, and D. M. Treger, Science 294, 1488 (2001). 10.1126/science.1065389
- (2001) Science , vol.294 , pp. 1488
- Wolf, S.A.¹ Awschalom, D.D.² Buhrman, R.A.³ Daughton, J.M.⁴ Von Molnár, S.⁵ Roukes, M.L.⁶ Chtchelkanove, A.Y.⁷ Treger, D.M.⁸

17
- 0032516694
- 10.1126/science.281.5379.951
- H. Ohno, Science 281, 951 (1998). 10.1126/science.281.5379.951
- (1998) Science , vol.281 , pp. 951
- Ohno, H.¹

18
- 0034635396
- 10.1126/science.287.5455.1019
- T. Dietl, H. Ohno, F. Matsukura, J. Cibert, and D. Ferrand, Science 287, 1019 (2000). 10.1126/science.287.5455.1019
- (2000) Science , vol.287 , pp. 1019
- Dietl, T.¹ Ohno, H.² Matsukura, F.³ Cibert, J.⁴ Ferrand, D.⁵

19
- 33846490139
- 10.1002/anie.200601815
- C. Felser, G. H. Fecher, and B. Balke, Angew. Chem., Int. Ed. 46, 668 (2007). 10.1002/anie.200601815
- (2007) Angew. Chem., Int. Ed. , vol.46 , pp. 668
- Felser, C.¹ Fecher, G.H.² Balke, B.³

20
- 0001120270
- J. S. Miller and A. J. Epstein, CHEMTECH 21, 168 (1991).
- (1991) CHEMTECH , vol.21 , pp. 168
- Miller, J.S.¹ Epstein, A.J.²

21
- 0028419632
- 10.1002/adma.19940060416
- J. S. Miller, Adv. Mater. (Weinheim, Ger.) 6, 322 (1994). 10.1002/adma.19940060416
- (1994) Adv. Mater. (Weinheim, Ger.) , vol.6 , pp. 322
- Miller, J.S.¹

22
- 0000787792
- 10.1063/1.355561
- B. G. Morin, C. Hahm, A. J. Epstein, and J. S. Miller, J. Appl. Phys. 75, 5782 (1994). 10.1063/1.355561
- (1994) J. Appl. Phys. , vol.75 , pp. 5782
- Morin, B.G.¹ Hahm, C.² Epstein, A.J.³ Miller, J.S.⁴

23
- 33845519411
- 10.1103/PhysRevLett.97.247205
- J.-W. Yoo, R. S. Edelstein, D. M. Lincoln, N. P. Raju, C. Xia, K. I. Pokhodnya, J. S. Miller, and A. J. Epstein, Phys. Rev. Lett. 97, 247205 (2006). 10.1103/PhysRevLett.97.247205
- (2006) Phys. Rev. Lett. , vol.97 , pp. 247205
- Yoo, J.-W.¹ Edelstein, R.S.² Lincoln, D.M.³ Raju, N.P.⁴ Xia, C.⁵ Pokhodnya, K.I.⁶ Miller, J.S.⁷ Epstein, A.J.⁸

24
- 42149111729
- 10.1063/1.2830960
- J.-W. Yoo, R. S. Edelstein, N. P. Raju, D. M. Lincoln, and A. J. Epstein, J. Appl. Phys. 103, 07B912 (2008). 10.1063/1.2830960
- (2008) J. Appl. Phys. , vol.103
- Yoo, J.-W.¹ Edelstein, R.S.² Raju, N.P.³ Lincoln, D.M.⁴ Epstein, A.J.⁵

25
- 1542470361
- J. Zhang, P. Zhou, W. B. Brinckerhoff, A. J. Epstein, C. Vazquez, R. S. McLean, and J. S. Miller, ACS Symp. Ser. 644, 311 (1996).
- (1996) ACS Symp. Ser. , vol.644 , pp. 311
- Zhang, J.¹ Zhou, P.² Brinckerhoff, W.B.³ Epstein, A.J.⁴ Vazquez, C.⁵ McLean, R.S.⁶ Miller, J.S.⁷

26
- 33144480155
- 10.1103/PhysRevLett.96.057209
- C. Tengstedt, M. P. de Jong, A. Kanciurzewska, E. Carlegrim, and M. Fahlman, Phys. Rev. Lett. 96, 057209 (2006). 10.1103/PhysRevLett.96.057209
- (2006) Phys. Rev. Lett. , vol.96 , pp. 057209
- Tengstedt, C.¹ De Jong, M.P.² Kanciurzewska, A.³ Carlegrim, E.⁴ Fahlman, M.⁵

27
- 42549099934
- 10.1063/1.2916901
- E. Carlegrim, A. Kanciurzewska, P. Nordblad, and M. Fahlman, Appl. Phys. Lett. 92, 163308 (2008). 10.1063/1.2916901
- (2008) Appl. Phys. Lett. , vol.92 , pp. 163308
- Carlegrim, E.¹ Kanciurzewska, A.² Nordblad, P.³ Fahlman, M.⁴

28
- 0034596887
- 10.1021/ic000540x
- J. S. Miller, Inorg. Chem. 39, 4392 (2000), and references therein. 10.1021/ic000540x
- (2000) Inorg. Chem. , vol.39 , pp. 4392
- Miller, J.S.¹

29
- 34250702213
- 10.1002/anie.200604164
- J.-H. Her, P. W. Stephens, K. I. Pokhodnya, M. Bonner, and J. S. Miller, Angew. Chem., Int. Ed. 46, 1521 (2007). 10.1002/anie.200604164
- (2007) Angew. Chem., Int. Ed. , vol.46 , pp. 1521
- Her, J.-H.¹ Stephens, P.W.² Pokhodnya, K.I.³ Bonner, M.⁴ Miller, J.S.⁵

30
- 50149105190
- 10.1002/jcc.20987
- A. L. Tchougréeff and R. Dronskowski, J. Comput. Chem. 29, 2220 (2008). 10.1002/jcc.20987
- (2008) J. Comput. Chem. , vol.29 , pp. 2220
- Tchougréeff, A.L.¹ Dronskowski, R.²

31
- 33746283704
- 10.1002/anie.200503277
- J. S. Miller, Angew. Chem., Int. Ed. 45, 2508 (2006). 10.1002/anie.200503277
- (2006) Angew. Chem., Int. Ed. , vol.45 , pp. 2508
- Miller, J.S.¹

32
- 0028493507
- 10.1021/ja00095a030
- A. Zheludev, A. Grand, E. Ressouche, J. Schweizer, B. G. Morin, A. J. Epstein, D. A. Dixon, and J. S. Miller, J. Am. Chem. Soc. 116, 7243 (1994). 10.1021/ja00095a030
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 7243
- Zheludev, A.¹ Grand, A.² Ressouche, E.³ Schweizer, J.⁴ Morin, B.G.⁵ Epstein, A.J.⁶ Dixon, D.A.⁷ Miller, J.S.⁸

33
- 4243553426
- 10.1103/PhysRevA.38.3098
- A. D. Becke, Phys. Rev. A 38, 3098 (1988). 10.1103/PhysRevA.38.3098
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

34
- 0000189651
- 10.1063/1.464913
- A. D. Becke, J. Chem. Phys. 98, 5648 (1993). 10.1063/1.464913
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

35
- 0345491105
- 10.1103/PhysRevB.37.785
- C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988). 10.1103/PhysRevB.37.785
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

36
- 47149099038
- Università di Torino, Torino
- R. Dovesi, CRYSTAL06, (Università di Torino, Torino, 2006).
- (2006) CRYSTAL06
- Dovesi, R.¹

37
- 33746998342
- 10.1103/RevModPhys.61.433
- W. E. Pickett, Rev. Mod. Phys. 61, 433 (1989). 10.1103/RevModPhys.61.433
- (1989) Rev. Mod. Phys. , vol.61 , pp. 433
- Pickett, W.E.¹

38
- 21144475673
- 10.1080/01418619308213989
- W. C. Mackrodt, N. M. Harrison, V. R. Saunders, N. L. Allan, M. D. Towler, E. Apra, and R. Dovesi, Philos. Mag. A 68, 653 (1993). 10.1080/01418619308213989
- (1993) Philos. Mag. A , vol.68 , pp. 653
- MacKrodt, W.C.¹ Harrison, N.M.² Saunders, V.R.³ Allan, N.L.⁴ Towler, M.D.⁵ Apra, E.⁶ Dovesi, R.⁷

39
- 0000053430
- 10.1016/S0009-2614(01)00616-9
- J. Muscat, A. Wander, and N. M. Harrison, Chem. Phys. Lett. 342, 397 (2001). 10.1016/S0009-2614(01)00616-9
- (2001) Chem. Phys. Lett. , vol.342 , pp. 397
- Muscat, J.¹ Wander, A.² Harrison, N.M.³

40
- 0042106860
- 10.1103/PhysRevLett.79.1539
- R. L. Martin and F. Illas, Phys. Rev. Lett. 79, 1539 (1997). 10.1103/PhysRevLett.79.1539
- (1997) Phys. Rev. Lett. , vol.79 , pp. 1539
- Martin, R.L.¹ Illas, F.²

41
- 0000511775
- 10.1103/PhysRevB.61.5194
- T. Bredow and A. R. Gerson, Phys. Rev. B 61, 5194 (2000). 10.1103/PhysRevB.61.5194
- (2000) Phys. Rev. B , vol.61 , pp. 5194
- Bredow, T.¹ Gerson, A.R.²

42
- 0037089171
- 10.1103/PhysRevB.65.155102
- I. de P. R. Moreira, F. Illas, and R. L. Martin, Phys. Rev. B 65, 155102 (2002). 10.1103/PhysRevB.65.155102
- (2002) Phys. Rev. B , vol.65 , pp. 155102
- De P. Moreira, R.I.¹ Illas, F.² Martin, R.L.³

43
- 0034894942
- 10.1103/PhysRevB.63.144510
- J. K. Perry, J. Tahir-Kheli, and W. A. Goddard, Phys. Rev. B 63, 144510 (2001). 10.1103/PhysRevB.63.144510
- (2001) Phys. Rev. B , vol.63 , pp. 144510
- Perry, J.K.¹ Tahir-Kheli, J.² Goddard, W.A.³

44
- 19744381392
- 10.1103/PhysRevB.70.092402
- X.-B. Feng and N. M. Harrison, Phys. Rev. B 70, 092402 (2004). 10.1103/PhysRevB.70.092402
- (2004) Phys. Rev. B , vol.70 , pp. 092402
- Feng, X.-B.¹ Harrison, N.M.²

45
- 33745646318
- 10.1039/b604759a
- J. Ribas-Ariño, J. J. Novoa, and J. S. Miller, J. Mater. Chem. 16, 2600 (2006). 10.1039/b604759a
- (2006) J. Mater. Chem. , vol.16 , pp. 2600
- Ribas-Ariño, J.¹ Novoa, J.J.² Miller, J.S.³

46
- 33847162757
- Università di Torino, Torino
- R. Dovesi, CRYSTAL06 User's Manual (Università di Torino, Torino, 2006).
- (2006) CRYSTAL06 User's Manual
- Dovesi, R.¹

47
- 60949089150
- See http://www.crystal.unito.it/Basis-Sets/Ptable.html.

48
- 1842816907
- 10.1103/PhysRevB.13.5188
- H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976). 10.1103/PhysRevB.13.5188
- (1976) Phys. Rev. B , vol.13 , pp. 5188
- Monkhorst, H.J.¹ Pack, J.D.²

49
- 40749158753
- 10.1103/PhysRevB.77.054420
- E. Carlegrim, B. Gao, A. Kanciurzewska, M. P. de Jong, Z. Wu, Y. Luo, and M. Fahlman, Phys. Rev. B 77, 054420 (2008). 10.1103/PhysRevB.77.054420
- (2008) Phys. Rev. B , vol.77 , pp. 054420
- Carlegrim, E.¹ Gao, B.² Kanciurzewska, A.³ De Jong, M.P.⁴ Wu, Z.⁵ Luo, Y.⁶ Fahlman, M.⁷

50
- 27844536430
- 10.1016/j.ccr.2005.04.010
- E. Ruiz, J. Cirera, and S. Alvarez, Coord. Chem. Rev. 249, 2649 (2005), and references therein. 10.1016/j.ccr.2005.04.010
- (2005) Coord. Chem. Rev. , vol.249 , pp. 2649
- Ruiz, E.¹ Cirera, J.² Alvarez, S.³

51
- 84963393722
- 10.1080/10587259308054959
- A. J. Epstein and J. S. Miller, Mol. Cryst. Liq. Cryst. Sci. Technol., Sect. A 233, 171 (1993). 10.1080/10587259308054959
- (1993) Mol. Cryst. Liq. Cryst. Sci. Technol., Sect. A , vol.233 , pp. 171
- Epstein, A.J.¹ Miller, J.S.²

52
- 46349088211
- 10.1103/PhysRevLett.100.257204
- J. B. Kortright, D. M. Lincoln, R. S. Edelstein, and A. J. Epstein, Phys. Rev. Lett. 100, 257204 (2008). 10.1103/PhysRevLett.100.257204
- (2008) Phys. Rev. Lett. , vol.100 , pp. 257204
- Kortright, J.B.¹ Lincoln, D.M.² Edelstein, R.S.³ Epstein, A.J.⁴

53
- 84967006964
- Wiley-VCH, Weinheim
- J. S. Miller and M. Drillon, Magnetism: Molecules to Materials (Wiley-VCH, Weinheim, 2001), Vol. 1-3.
- (2001) Magnetism: Molecules to Materials , vol.1-3
- Miller, J.S.¹ Drillon, M.²

54
- 3342899450
- 10.1103/PhysRevLett.62.1201
- E. H. Lieb, Phys. Rev. Lett. 62, 1201 (1989). 10.1103/PhysRevLett.62.1201
- (1989) Phys. Rev. Lett. , vol.62 , pp. 1201
- Lieb, E.H.¹

55
- 0005331842
- 10.1007/BF00549259
- A. A. Ovchinnikov, Theor. Chim. Acta 47, 297 (1978). 10.1007/BF00549259
- (1978) Theor. Chim. Acta , vol.47 , pp. 297
- Ovchinnikov, A.A.¹

56
- 0004236045
- Wiley-VCH, Weinheim
- O. Kahn, Molecular Magnetism (Wiley-VCH, Weinheim, 1993), and references therein.
- (1993) Molecular Magnetism
- Kahn, O.¹

57
- 27944497373
- 10.1080/00268970500178869
- J. Chan, B. Montanari, W.-L. Chan, and N. M. Harrison, Mol. Phys. 103, 2573 (2005). 10.1080/00268970500178869
- (2005) Mol. Phys. , vol.103 , pp. 2573
- Chan, J.¹ Montanari, B.² Chan, W.-L.³ Harrison, N.M.⁴

58
- 33847056745
- 10.1103/PhysRevB.75.064418
- L. Pisani, J. A. Chan, B. Montanari, and N. M. Harrison, Phys. Rev. B 75, 064418 (2007). 10.1103/PhysRevB.75.064418
- (2007) Phys. Rev. B , vol.75 , pp. 064418
- Pisani, L.¹ Chan, J.A.² Montanari, B.³ Harrison, N.M.⁴

59
- 46249106531
- 10.1088/1367-2630/10/3/033002
- L. Pisani, B. Montanari, and N. M. Harrison, New J. Phys. 10, 033002 (2008). 10.1088/1367-2630/10/3/033002
- (2008) New J. Phys. , vol.10 , pp. 033002
- Pisani, L.¹ Montanari, B.² Harrison, N.M.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.