Complex materials for molecular spintronics applications: Cobalt bis(dioxolene) valence tautomers, from molecules to polymers

Journal of Physical Chemistry B

Volumn 116, Issue 43, 2012, Pages 13141-13148

  Calzolari, Arrigo ^a   Chen, Yifeng ^b   Lewis, Geoffrey F ^b   Dougherty, Daniel B ^b   Shultz, David ^b   Buongiorno Nardelli, Marco ^c,d  

^a CNR   (Italy)

^b NORTH CAROLINA STATE UNIVERSITY   (United States)

^c UNIVERSITY OF NORTH TEXAS   (United States)

^d OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEX MATERIALS; CONDUCTION PROPERTIES; COORDINATION POLYMERS; DIOXOLENE; FIRST-PRINCIPLES CALCULATION; FUNCTIONALIZATIONS; FUTURE DESIGNS; MAGNETIC BISTABILITY; MOLECULAR SPINTRONICS; ORGANIC MATERIALS; SPIN STATE; SPIN-STATE SWITCHING; SPINTRONIC DEVICE; SPINTRONICS APPLICATION; TAUTOMERIC COMPOUNDS;

COBALT; ELECTRIC PROPERTIES; ELECTRONIC PROPERTIES; MAGNETOELECTRONICS; NANOTECHNOLOGY; TRANSPORT PROPERTIES;

COBALT COMPOUNDS;

EID: 84868254854     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp3099895     Document Type: Article

References (42)

1. Sanvito, S. Chem. Soc. Rev. 2011, 41, 3336-3355
2. Troiani, F.; Affronte, M. Chem. Soc. Rev. 2011, 40, 3119-3129
3. Morley, N. A.; Rao, A.; Dhandapani, D.; Gibbs, M. R. J.; Grell, M.; Richardson, T. J. Appl. Phys. 2008, 103, 07F306 (1-3)
4. Dediu, V.; Murgia, M.; Matacotta, F.; Taliani, C.; Barbanera, S. Solid State Commun. 2002, 122, 181-184
5. Dediu, V. A.; Hueso, L. E.; Bergenti, I.; Taliani, C. Nat. Mater. 2009, 8, 707-716
6. Xiong, Z. H.; Wu, D.; Vardeny, Z. V.; Shi, J. Nature (London) 2004, 421, 821-824
7. Dediu, V.; Hueso, L. E.; Bergenti, I.; Riminucci, A.; Borgatti, F.; Graziosi, P.; Newby, C.; Casoli, F.; De Jong, M. P.; Taliani, C.; Zhan, Y. Phys. Rev. B 2008, 78, 115203 (1-6)
8. Santos, T. S.; Lee, J. S.; Migdal, P.; Lekshmi, I. C.; Satpati, B.; Moodera, J. S. Phys. Rev. Lett. 2007, 98, 016601 (1-4)
9. Shim, J. H.; Raman, K. V.; Park, Y. J.; Santos, T. S.; Miao, G. X.; Satpati, B.; Moodera, J. S. Phys. Rev. Lett. 2008, 100, 226603 (1-4)
10. Barraud, C.; Seneor, P.; Mattana, R.; Fusil, S.; Bouzehouane, K.; Deranlot, C.; Graziosi, P.; Hueso, L.; Bergenti, I.; Dediu, V.; Petroff, F.; Fert, A. Nat. Phys. 2010, 6, 615-620
11. Margheriti, L.; Chiappe, D.; Mannini, M.; Car, P.; Sainctavit, P.; Arrio, M.-A.; de Mongeot, F. B.; Cezar, J. C.; Piras, F. M.; Magnani, A.; Otero, E.; Caneschi, A.; Sessoli, R. Adv. Mater. 2010, 22, 5488-5493
12. Stepanow, S.; Honolka, J.; Gambardella, P.; Vitali, L.; Abdurakhmanova, N.; Tseng, T.-C.; Rauschenbach, S.; Tait, S. L.; Sessi, V.; Klyatskaya, S.; Ruben, M.; Kern, K. J. Am. Chem. Soc. 2010, 132, 11900-11901
13. Majumdar, S.; Laiho, R.; Laukkanen, P.; Vayrynen, I. J.; Majumdar, H. S.; Osterbacka, R. Appl. Phys. Lett. 2006, 89, 122114 (1-3)
14. Wernsdorfer, W. Int. J. Nanotechnol. 2010, 7, 497-522
15. Kyatskaya, S.; Mascaro, J. R. G.; Bogani, L.; Hennrich, F.; Kappes, M.; Wernsdorfer, W.; Ruben, M. J. Am. Chem. Soc. 2009, 131, 15143-15151
16. Manriquez, J. M.; Yee, G. T.; McLean, R. S.; Epstein, A. J.; Miller, J. S. Science 1991, 252, 1415-1417
17. Li, B.; Kao, C.-Y.; Yoo, J.-W.; Prigodin, V. N.; Epstein, A. J. Adv. Mater. 2011, 23, 3382-3386
18. Philipp Gutlich, Y. G.; Goodwin, H. A. Chem. Soc. Rev. 2000, 29, 419-427
19. Kahn, O.; Martinez, C. J. Science 1998, 279, 44-48
20. Mahfoud, T.; Molnaar, G.; Cobo, S.; Salmon, L.; Thibault, C.; Vieu, C.; Demont, P.; Bousseksou, A. Appl. Phys. Lett. 2011, 99, 053307 (1-3)
21. Aravena, D.; Ruiz, E. J. Am. Chem. Soc. 2012, 134, 777-779
22. Baadji, N.; Sanvito, S. Phys. Rev. Lett. 2012, 108, 217201 (1-5)
23. Adam, D. M.; Dei, A.; Rheingold, A. L.; Hendrickson, D. N. J. Am. Chem. Soc. 1993, 115, 8221-8229
24. Hendrickson, D. N.; Pierpont, C. G. In Spin Crossover in Transition Metal Compounds II; Gutlich, P.; Goodwin, H., Eds.; Topics in Current Chemistry; Springer: Berlin/Heidelberg, 2004; Vol. 234, pp 786-786.
25. Droghetti, A.; Sanvito, S. Phys. Rev. Lett. 2011, 107, 47201 (1-4)
26. Giannozzi, P. J. Phys.: Condens. Matter 2009, 21, 395502 (1-19)
27. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865-3868
28. Vanderbilt, D. Phys. Rev. B 1990, 41, R7892-R7895
29. Schmidt, R. D.; Shultz, D. A.; Martin, J. D. Inorg. Chem. 2010, 49, 3162-3168
30. Di Valentin, C.; Selloni, A. J. Phys. Chem. Lett. 2011, 2, 2223-2228
31. WanT code, publicly available at www.wannier-transport.org. For details, see ref 32.
32. Calzolari, A.; Marzari, N.; Souza, I.; Buongiorno Nardelli, M. Phys. Rev. B 2004, 69, 035108 (1-10)
33. Landauer, R. Philos. Mag. 1970, 21, 863-867
34. Datta, S. Electronic transport in mesoscopic systems; Cambridge University Press: Cambridge, U.K., 1995.
35. Marzari, N.; Vanderbilt, D. Phys. Rev. B 1997, 56, 12847-12865
36. Ferretti, A.; Calzolari, A.; Bonferroni, B.; Di Felice, R. J. Phys.: Condens. Matter 2007, 19, 036215 (1-16)
37. Calzolari, A.; Ferretti, A.; Buongiorno Nardelli, M. Nanotechnology 2007, 18, 424013 (1-8)
38. Ferretti, A.; Calzolari, A.; Di Felice, R.; Manghi, F.; Caldas, M. J.; Buongiorno Nardelli, M.; Molinari, E. Phys. Rev. Lett. 2005, 94, 116802 (1-4)
39. O'Sullivan, T. J.; Djukic, B.; Dube, P. A.; Lemaire, M. T. Chem. Commun. 2009, 1903-1905
40. Welte, L.; Calzolari, A.; Di Felice, R.; Zamora, F.; Gomez-Herrero, J. Nat. Nanotechnol. 2010, 5, 110-115
41. Jung, O.; Pierpont, C. J. Am. Chem. Soc. 1994, 116, 2229-2230
42. Brandbyge, M.; Srensen, M. R.; Jacobsen, K. W. Phys. Rev. B 1997, 56, 14956-14959