Publication Cover
High Pressure Research
An International Journal
Volume 30, 2010 - Issue 4
122
Views
4
CrossRef citations to date
0
Altmetric
Further papers

Elastic and thermodynamic properties in CdO at high pressures from first-principles calculations

, , , , , & show all
Pages 679-686 | Received 28 Sep 2010, Accepted 03 Nov 2010, Published online: 14 Dec 2010

References

  • Kobayashi , M. , Ishida , Y. , Hwang , J. I. , Osafune , Y. , Fujimori , A. , Takeda , Y. , Okane , T. , Saitoh , Y. , Kobayashi , K. , Saeki , H. , Kawai , T. and Tabata , H. 2010 . Antiferromagnetic interaction between paramagnetic Co ions in the diluted magnetic semiconductor Zn Co x O . Phys. Rev. B , 81 : 075204-1 – 7 .
  • Souza-Neto , N. M. , Haskel , D. , Tseng , Y. C. and Lapertot , G. 2009 . Pressure-induced electronic mixing and enhancement of ferromagnetic ordering in EuX (X=Te, Se, S, O) magnetic semiconductors . Phys. Rev. Lett. , 102 : 057206-1 – 4 .
  • Kurita , N. , Hedo , M. , Koeda , M. , Kobayashi , M. , Sato , H. , Sugawara , H. and Uwatoko , Y. 2009 . Pressure-induced Kondo semiconductor: The filled skutterudite compound CeRu Sb . Phys. Rev. B , 79 : 014441-1-8
  • Manjón , F. J. , Errandonea , D. , Romero , A. H. , Garro , N. , Serrano , J. and Kuball , M. 2008 . Lattice dynamics of wurtzite and rocksalt AlN under high pressure: Effect of compression on the crystal anisotropy of wurtzite-type semiconductors . Phys. Rev. B , 77 : 205204-1 – 16 .
  • Ibanez , J. , Segura , A. , Manjon , F. J. , Artus , L. , Yamaguchi , T. and Nanishi , Y. 2010 . Electronic structure of wurtzite and rocksalt InN investigated by optical absorption under hydrostatic pressure . Appl. Phys. Lett. , 96 : 201903-1 – 3 .
  • Mollaev , A. Y. , Kamilov , I. K. , Arslanov , R. K. , Zalibekov , U. Z. , Arslanov , T. R. , Ibaev , E. S. , Novotortsev , V. M. and Marenkin , S. F. 2010 . Pressure, temperature, and magnetic-field effects on the transport properties of Cd Mn GeAs . Inorg. Mater. , 46 : 571 – 573 .
  • Kim , M. H. and Kwon , Y. U. 2009 . Semiconductor CdO as a blocking layer material on DSSC electrode: mechanism and application . J. Phys. Chem. C , 113 : 17176 – 17182 .
  • Gulino , A. , Dapporto , P. , Rossi , P. and Fragala , I. 2002 . A liquid MOCVD precursor for thin films of CdO . Chem. Mater. , 14 : 1441 – 1444 .
  • Zhang , J. 1999 . Room-temperature compressibilities of MnO and CdO: Further examination of the role of cation type in bulk modulus systematics . Phys. Chem. Miner. , 26 : 644 – 648 .
  • Liu , H. Z. , Mao , H. K. , Somayazulu , M. , Ding , Y. , Meng , Y. and Häusermann , D. 2004 . B1-to-B2 phase transition of transition-metal monoxide CdO under strong compression . Phys. Rev. B , 70 : 094114-1-5
  • Durandurdu , M. 2008 . Pressure-induced phase transformation in CdO: An ab initio constant-pressure study . Europhys. Lett. , 84 : 66003-1 – 5 .
  • Schleife , A. , Fuchs , F. , Furthmüller , J. and Bechstedt , F. 2006 . First-principles study of ground- and excited-state properties of MgO, ZnO, and CdO polymorphs . Phys. Rev. B , 73 : 245212-1 – 14 .
  • Guerrero-Moreno , R. J. and Takeuchi , N. 2002 . First principles calculations of the ground-state properties and structural phase transformation in CdO . Phys. Rev. B , 66 : 205205-1 – 6 .
  • Tekin , A. , Caputo , R. and Züttel , A. 2010 . First-principles determination of the ground-state structure of LiBH . Phys. Rev. Lett. , 104 : 215501-1 – 4 .
  • Vidal , J. , Botti , S. , Olsson , P. , Guillemoles , J. F. and Reining , L. 2010 . Strong interplay between structure and electronic properties in CuIn(S,Se) : A first-principles study . Phys. Rev. Lett. , 104 : 056401-1 – 4 .
  • Qiu , A. N. , Zhang , L. T. and Wu , J. S. 2010 . Crystal structure, electronic structure, and thermoelectric properties of β-Zn Sb from first principles . Phys. Rev. B , 81 : 035203-1 – 6 .
  • Poirier , J. P. 2000 . Introduction to the Physics of the Earth's Interior , .6 Cambridge : Cambridge University Press .
  • Nye , J. F. 1985 . Physical Properties of Crystals , 142 Oxford : Clarendon Press .
  • Francisco , E. , Recio , J. M. , Blanco , M. A. , Martín Pendás , A. and Costales , A. 1998 . Quantum-mechanical study of thermodynamic and bonding properties of MgF . J. Phys. Chem. A , 102 : 1595 – 1601 .
  • Blanco , M. A. , Francisco , E. and Luaña , V. 2004 . GIBBS: Isothermal–isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model . Comput. Phys. Commun. , 158 : 57 – 72 .
  • Anderson , O. L. 1963 . A simplified method for calculating Debye temperature from elastic constants . J. Phys. Chem. Solids , 24 : 909 – 917 .
  • Liu , H. Z. , Tse , J. S. and Mao , H. K. 2006 . Stability of rocksalt phase of zinc oxide under strong compression: synchrotron X-ray diffraction experiments and first-principles calculation studies . J. Appl. Phys. , 100 : 093509-1 – 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.