Publication Cover
Integrated Ferroelectrics
An International Journal
Volume 108, 2009 - Issue 1
156
Views
19
CrossRef citations to date
0
Altmetric
Original Articles

FIRST-PRINCIPLES LCAO CALCULATIONS ON 5D TRANSITION METAL OXIDES: ELECTRONIC AND PHONON PROPERTIES

, , , &
Pages 1-10 | Received 31 Mar 2009, Accepted 14 Aug 2009, Published online: 20 Sep 2010

REFERENCES

  • Evarestov , R. A. 2007 . Quantum Chemistry of Solids , Berlin : Springer .
  • Chatterji , T. , Henry , P. F. , Mittal , R. and Chaplot , S. L. 2008 . Phys. Rev. B , 78 ( 134105 ) : 1 – 6 .
  • Hazen , R. M. , Finger , L. W. and Mariathasan , J. W. E. 1985 . J. Phys. Chem. Solids , 46 : 253 – 263 .
  • Kraus , H. , Mikhailik , V. B. , Vasylechko , L. , Day , D. , Hutton , K. B. , Telfer , J. and Prots , Yu. 2007 . Phys. stat. sol. (a) , 204 : 730 – 736 .
  • Dovesi , R. 2006 . Crystal 06, Users manual , University of Turin .
  • Kalinko , A. , Kuzmin , A. and Evarestov , R. A. 2009 . Solid State Commun. , 149 : 425 – 428 .
  • Parlinski , K. , Li , Z. Q. and Kawazoe , Y. 1997 . Phys. Rev. Lett. , 78 : 4063 – 4066 .
  • Kunc , K. and Martin , R. M. 1982 . Phys. Rev. Lett. , 48 : 406 – 409 .
  • Togo . fropho: Phonon analyzer for periodic boundary condition materials . http://fropho.sourceforge.net/
  • Mikhailik , V. B. , Kraus , H. , Wahl , D. , Itoh , M. , Koike , M. and Bailiff , I. K. 2004 . Phys. Rev. B , 69 ( 205110 ) : 1 – 9 .
  • Kolobanov , V. N. , Kamenskikh , I. A. , Mikhailin , V. V. , Shpinkov , I. N. , Spassky , D. A. , Zadneprovsky , B. I. , Potkin , L. I. and Zimmerer , G. 2002 . Nucl. Instrum. and Methods in Phys. Res. A , 486 : 496 – 503 .
  • Itoh , M. , Fujita , N. and Inabe , Y. 2006 . J. Phys. Soc. Japan , 75 ( 084705 ) : 1 – 8 .
  • Zhang , Y. , Holzwarth , N. A. W. and Williams , R. T. 1998 . Phys. Rev. B , 57 : 12738 – 12750 .
  • Orhan , E. , Anicete-Santos , M. , Maurera , M. , Pontes , F. M. , Souza , A. G. , Andrès , J. , Beltràn , A. , Varela , J. A. , Pizani , P. S. , Taft , C. A. and Longo , E. 2005 . J. Solid State Chem. , 178 : 1284 – 1291 .
  • Tsuda , N. , Sumino , Y. , Ohno , I. and Akahane , T. 1976 . J. Phys. Soc. Japan , 41 : 1153 – 1158 .
  • Cora , F. , Stachiotti , M. G. , Catlow , C. R. A. and Rodriguez , C. O. 1997 . J. Phys. Chem. B , 101 : 3945 – 3952 .
  • Errandonea , D. , Pellicer-Porres , J. , Manjón , F. J. , Segura , A. , Ferrer-Roca , Ch. , Kumar , R. S. , Tschauner , O. , Rodríguez-Hernández , P. , López-Solano , J. , Radescu , S. , Mújica , A. , Muñoz , A. and Aquilanti , G. 2005 . Phys. Rev. B , 72 ( 174106 ) : 1 – 14 .
  • Rodrıguez-Hernandez , P. , López-Solano , J. , Radescu , S. , Mujica , A. , Muñoz , A. , Errandonea , D. , Pellicer-Porres , J. , Segura , A. , Ferrer-Roca , Ch. , Manjón , F. J. , Kumar , R. S. , Tschauner , O. and Aquilanti , G. 2006 . J. Phys. Chem. Solids , 67 : 2164 – 2171 .
  • Errandonea , D. , Manjón , F. J. , Garro , N. , Rodríguez-Hernández , P. , Radescu , S. , Mujica , A. , Muñoz , A. and Tu , C. Y. 2008 . Phys. Rev. B , 78 ( 054116 ) : 1 – 12 .
  • Purans , J. , Kuzmin , A. , Cazzanelli , E. and Mariotto , G. 2007 . J. Phys.: Condens. Matter , 19 ( 226206 ) : 1 – 8 .
  • Gouadec , G. and Colomban , P. 2007 . Progr. Crystal Growth Charact. Mater. , 53 : 1 – 56 .
  • Porto , S. P. S. and Scott , J. F. 1967 . Phys. Rev. , 157 : 716 – 719 .
  • Liu , Y. , Wang , H. , Chen , G. , Zhou , Y. D. , Gu , B. Y. and Hu , B. Q. 1988 . J. Appl. Phys. , 64 : 4651 – 4653 .
  • Wang , H. , Medina , F. D. , Zhou , Y. D. and Zhang , Q. N. 1992 . Phys. Rev. B , 45 : 10356 – 10362 .
  • Kuzmin , A. and Evarestov , R. A. 2009 . J. Phys.: Condens. Matter , 21 ( 055401 ) : 1 – 5 .

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.