First-principles study of electronic and magnetic properties of FeC13-based graphite intercalation compounds

Physica B: Condensed Matter

Volumn 425, Issue , 2013, Pages 72-77

  Li, Yan ^a   Yue, Qu ^b  

^a INSTITUTE OF SEMICONDUCTORS   (China)

^b NATIONAL UNIVERSITY OF DEFENSE TECHNOLOGY   (China)

Author keywords

First principles calculations; GICs; Magnetic transformation

Indexed keywords

BAND STRUCTURE; CALCULATIONS; DENSITY FUNCTIONAL THEORY; GRAPHITE; GROUND STATE; INTERCALATION COMPOUNDS; MAGNETIC PROPERTIES; MAGNETISM;

ANTIFERROMAGNETIC ORDERS; ELECTRONIC AND MAGNETIC PROPERTIES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; GICS; INTERCALATION PROCESS; MAGNETIC TRANSFORMATIONS; SPIN-DOWN STATE;

INTERCALATION;

EID: 84886943457     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2013.05.030     Document Type: Article

References (36)

1. M.S. Dresselhaus, C. Dresselhaus, Adv. Phys. 51(2002)1.
2. J. Zhu, Z. Chen, C. Wang, Mater. Lett. 57 (2003) 2145.
3. N. Kim, KS. Kim, N. Jung, L Brus, Philip Kim, Nano Lett. 11(2011)860.
4. W. Zhao, R Tan,J. Liu, A.C. Ferrari,J. Am. Chem. Soc. 133 (2011) 5941.
5. E. Pollak, B. Geng, KJ. Jeon, IT. Lucas, T.J. Richardson, F. Wang, R. Kostecki, Nano Lett. 10 (2010) 3386.
6. X. Zou, D. Zhan, X. Fang, D. Lee, SK Nair, AppI. Phys. Lett. 97 (2010) 141910.
7. N. Jung, B. Kim, A.C. Crowther, N. Kim, C. Nuckolls, L Brus, ACS Nano 5 (2011) 5708.
8. W. Zhao, R Tan, J. Zhang, J. Liu, Phys. Rev. B 82 (2010) 245423.
9. J.W. Yang, C. Lee, J.S. Kim, 1(5. l(im, J. Phys. Chem. Lett. 2 (2011) 2577.
10. R.A. Jishi, D.M. Cuzman, H.M. Alyahyaei, Adv. Stud. Theor. Phys. 5 (2011) 703.
11. D. Zhan, L Sun, Z.H. Ni, L Liu, XE Fan, Y. Wang, T. Yu, Adv. Funct. Mater. 20 (2010) 3504.
12. N. Jung, N. l(im, S. Jockusch, N.J. Turro, R l(im, Louis Brus, Nano Lett. 9 (2009) 4133.
13. A. Cruneis, C. Attaccalite, A. Rubio, DV. Vyalikh, S.L. Molodtsov, J. Fink, R. Follath, W. Eberhardt, B. Buchner, T. Pichler, Phys. Rev. B 79 (2009) 205106.
14. L Boeri, GB. Bachelet, M. Giantomassi, O.K Anderson, Phys. Rev. B 76 (2007) 064510.
15. C. Csanyi, RB. Littlewood, A.H. Nevidomskyy, A.H. Pickard, C.J. Simons, Nat Phys. 1(2005) 42.
16. KT. Chan, J.B. Neaton, M.L Cohen, Phys. Rev. B 77 (2008) 235430.
17. K RytkOn, J. Akola, M. Manninen, Phys. Rev. B 75 (2007) 075401.
18. C. Caanyi, C.J. Pickard, B.D. Simons, R.J. Needs, Phys. Rev. B 75 (2007) 085432.
19. T.E. Weller, M. Ellerby, S.S. Saxena, R.R Smith, N.T. Skipper, Nat Phys. 1(2005) 39.
20. K RytkO, J. Akola, M. Manninen, Phys. Rev. B 69 (2004) 205404.
21. M. Suzuki, IS. Suzuki, Phys. Rev. B 58 (1998) 371.
22. A. Ibrahim, C. Zimmerman, Phys. Rev. B 35 (1987) 1860.
23. RE. BlochI, Phys. Rev. B 50 (1994) 17953.
24. C. Kresse, J. Haiher, Phys. Rev. B 47 (1993) 558.
25. RE. Perdew, K Burke, M. Ernzerhof, Phys. Rev. Lett. 77 (1996) 3865.
26. S.L. Dudarev, CA. Botton, S.Y. Savrasov, C.J. Humphreys, A.R Sutton, Phys. Rev. B 57 (1998) 1505.
27. V.V. Anisimov, J. Zaanen, O.K Andersen, Phys. Rev. B 44 (1991) 943.
28. M. Cococcioni, S. de Cironcoli, Phys. Rev. B 71(2005).
29. H.J. Monkhorst,J.D. Pack, Phys. Rev. B 13(1976)5188.
30. NW. Cregory,J. Am. Chem. Soc. 73(1951)472.
31. J Cable, M. Wilkinson, F. Wollan, W. l(oehler, Phys. Rev. 127 (1962) 714.
32. J Nathaniel, X.-Q. Wang, AppI. Phys. Lett. 100 (2012) 213112.
33. Y. Zhang, Y.W. Tan, H.L. Stormer, R l(im, Nature 438 (2005) 201.
34. KS. Novoselov, A.K Ceim, S.V. Morozov, D. Jiang, Ml. l(atsnelson, IV. Crigorieva, S.V. Dubonos, A.A. Firsov, Nature 438 (2005) 197.
35. S. Latil, L Henrard, Phys. Rev. Lett. 97 (2006) 036803.
36. M. Prietsch, C. Wortmann, C. l(aindl, Phys. Rev. B 33 (1986) 7451.