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Origin of Magnetism and Quasiparticles Properties in Cr-Doped TiO2

Bibliographic reference Da Pieve, Fabiana ; Di Matteo, S. ; Rangel, T. ; Giantomassi, Matteo ; Lamoen, D. ; et. al. Origin of Magnetism and Quasiparticles Properties in Cr-Doped TiO2. In: Physical Review Letters, Vol. 110, no.13, p. 136402 (2013)
Permanent URL http://hdl.handle.net/2078.1/128665
  1. Zhang Peihong, Luo Weidong, Crespi Vincent H., Cohen Marvin L., Louie Steven G., Doping effects on the electronic and structural properties ofCoO2: AnLSDA+Ustudy, 10.1103/physrevb.70.085108
  2. Janesko Benjamin G., Henderson Thomas M., Scuseria Gustavo E., Screened hybrid density functionals for solid-state chemistry and physics, 10.1039/b812838c
  3. Droghetti A., Pemmaraju C. D., Sanvito S., Predictingd0magnetism: Self-interaction correction scheme, 10.1103/physrevb.78.140404
  4. Jiang Hong, Gomez-Abal Ricardo I., Rinke Patrick, Scheffler Matthias, Localized and Itinerant States in Lanthanide Oxides United byGW @ LDA+U, 10.1103/physrevlett.102.126403
  5. Kioupakis Emmanouil, Zhang Peihong, Cohen Marvin L., Louie Steven G., GWquasiparticle corrections to theLDA+U∕GGA+Uelectronic structure of bcc hydrogen, 10.1103/physrevb.77.155114
  6. Matsumoto Y., Room-Temperature Ferromagnetism in Transparent Transition Metal-Doped Titanium Dioxide, 10.1126/science.1056186
  7. Coey J. M. D., Venkatesan M., Fitzgerald C. B., Donor impurity band exchange in dilute ferromagnetic oxides, 10.1038/nmat1310
  8. Ye Lin-Hui, Freeman A. J., Defect compensation, clustering, and magnetism in Cr-doped anataseTiO2, 10.1103/physrevb.73.081304
  9. Janotti A., Varley J. B., Rinke P., Umezawa N., Kresse G., Van de Walle C. G., Hybrid functional studies of the oxygen vacancy inTiO2, 10.1103/physrevb.81.085212
  10. Wang Zhenjun, Tang Jinke, Zhang Hongguo, Golub Vladimir, Spinu Leonard, Tung Le Duc, Ferromagnetism in chromium-doped reduced-rutile titanium dioxide thin films, 10.1063/1.1667806
  11. Zhang Xiao, Wang Weihua, Li Luyan, Cheng Yahui, Luo Xiaoguang, Liu Hui, Effect of oxygen partial pressure on the ferromagnetism of Cr-doped TiO2 films, 10.1088/0022-3727/41/1/015005
  12. Osterwalder J., Droubay T., Kaspar T., Williams J., Wang C.M., Chambers S.A., Growth of Cr-doped TiO2 films in the rutile and anatase structures by oxygen plasma assisted molecular beam epitaxy, 10.1016/j.tsf.2005.02.028
  13. Droubay T., Heald S. M., Shutthanandan V., Thevuthasan S., Chambers S. A., Osterwalder J., Cr-doped TiO2 anatase: A ferromagnetic insulator, 10.1063/1.1846158
  14. Kaspar T. C., Heald S. M., Wang C. M., Bryan J. D., Droubay T., Shutthanandan V., Thevuthasan S., McCready D. E., Kellock A. J., Gamelin D. R., Chambers S. A., Negligible Magnetism in Excellent Structural QualityCrxTi1−xO2Anatase: Contrast with High-TCFerromagnetism in Structurally DefectiveCrxTi1−xO2, 10.1103/physrevlett.95.217203
  15. Kaspar T. C., Droubay T., Shutthanandan V., Heald S. M., Wang C. M., McCready D. E., Thevuthasan S., Bryan J. D., Gamelin D. R., Kellock A. J., Toney M. F., Hong X., Ahn C. H., Chambers S. A., Ferromagnetism and structure of epitaxial Cr-doped anataseTiO2thin films, 10.1103/physrevb.73.155327
  16. Hong Nguyen Hoa, Ruyter Antoine, Prellier W., Sakai Joe, Room temperature ferromagnetism in anatase Ti0.95Cr0.05O2 thin films: Clusters or not?, 10.1063/1.1841457
  17. Cohen G., Fleurov V., Kikoin K., Vacancy mediated ferromagnetic interaction in TiO2 doped with magnetic ions, 10.1063/1.2710239
  18. Koohpayeh S. M., Williams A. J., Abell J. S., Lim J., Blackburn E., Cr-doped TiO2 (rutile): Ferromagnetism in bulk form?, 10.1063/1.3490997
  19. Valentin Cristiana Di, Pacchioni Gianfranco, Onishi Hiroshi, Kudo Akihiko, Cr/Sb co-doped TiO2 from first principles calculations, 10.1016/j.cplett.2008.12.086
  20. Yang Kesong, Dai Ying, Huang Baibiao, Density Functional Characterization of the Electronic Structure and Visible-Light Absorption of Cr-Doped Anatase TiO2, 10.1002/cphc.200900188
  21. Kotliar G., Savrasov S. Y., Haule K., Oudovenko V. S., Parcollet O., Marianetti C. A., Electronic structure calculations with dynamical mean-field theory, 10.1103/revmodphys.78.865
  22. Goodenough John B., Theory of the Role of Covalence in the Perovskite-Type Manganites[La, M(II)]MnO3, 10.1103/physrev.100.564
  23. Gonze X., Amadon B., Anglade P.-M., Beuken J.-M., Bottin F., Boulanger P., Bruneval F., Caliste D., Caracas R., Côté M., Deutsch T., Genovese L., Ghosez Ph., Giantomassi M., Goedecker S., Hamann D.R., Hermet P., Jollet F., Jomard G., Leroux S., Mancini M., Mazevet S., Oliveira M.J.T., Onida G., Pouillon Y., Rangel T., Rignanese G.-M., Sangalli D., Shaltaf R., Torrent M., Verstraete M.J., Zerah G., Zwanziger J.W., ABINIT: First-principles approach to material and nanosystem properties, 10.1016/j.cpc.2009.07.007
  24. Godby R. W., Needs R. J., Metal-insulator transition in Kohn-Sham theory and quasiparticle theory, 10.1103/physrevlett.62.1169
  25. Bocquet A. E., Mizokawa T., Morikawa K., Fujimori A., Barman S. R., Maiti K., Sarma D. D., Tokura Y., Onoda M., Electronic structure of early 3d-transition-metal oxides by analysis of the 2pcore-level photoemission spectra, 10.1103/physrevb.53.1161
  26. Serpone Nick, Is the Band Gap of Pristine TiO2Narrowed by Anion- and Cation-Doping of Titanium Dioxide in Second-Generation Photocatalysts?, 10.1021/jp065659r
  27. Di Matteo S., Jackeli G., Lacroix C., Perkins N. B., Valence-Bond Crystal in a Pyrochlore Antiferromagnet with Orbital Degeneracy, 10.1103/physrevlett.93.077208
  28. Di Matteo S., Jackeli G., Perkins N. B., Valence-bond crystal and lattice distortions in a pyrochlore antiferromagnet with orbital degeneracy, 10.1103/physrevb.72.024431
  29. Janisch Rebecca, Spaldin Nicola A., Understanding ferromagnetism in Co-dopedTiO2anatase from first principles, 10.1103/physrevb.73.035201
  30. Slater J. C., Koster G. F., Simplified LCAO Method for the Periodic Potential Problem, 10.1103/physrev.94.1498
  31. Matteo S Di, Perkins N B, Natoli C R, Ground-state electronic properties of V2O3, 10.1088/0953-8984/14/2/101
  32. Sangaletti L, Mozzati M C, Galinetto P, Azzoni C B, Speghini A, Bettinelli M, Calestani G, Ferromagnetism on a paramagnetic host background: the case of rutile TM:TiO2 single crystals (TM = Cr, Mn, Fe, Co, Ni, Cu), 10.1088/0953-8984/18/32/012
  33. Di Matteo S., Jackeli G., Perkins N. B., Effective spin-orbital Hamiltonian for the double perovskiteSr2FeWO6:Derivation of the phase diagram, 10.1103/physrevb.67.184427
  34. W. Harrison, Electronic Structure and the Properties of Solids (1989)
  35. Biswas S., Hossain M. F., Takahashi T., Kubota Y., Fujishima A., Study of photocatalytic activity in sputter-deposited Cr-TiO2thin film, 10.1002/pssa.200778893
  36. Dholam R., Patel N., Adami M., Miotello A., Hydrogen production by photocatalytic water-splitting using Cr- or Fe-doped TiO2 composite thin films photocatalyst, 10.1016/j.ijhydene.2009.05.011