209
Views
4
CrossRef citations to date
0
Altmetric
Original Articles

Ab Initio Phonon Structure of h-YMnO3 in Low-Symmetry Ferroelectric Phase

&
Pages 90-96 | Received 25 Sep 2011, Accepted 15 Dec 2011, Published online: 15 May 2012

References

  • Bertaut , E. F. and Mercier , M. 1963 . Structure magnetique de MnYO3 . Phys. Lett. , 5 : 27 – 29 .
  • Fina , I. , Fabrega , L. , Marti , X. , Sanchez , F. and Foncuberta , J. 2010 . Magnetic switch of polarization in epitaxial orthorhombic YMnO3 thin films . Appl. Phys. Lett. , 97 : 232905 – 3 .
  • Abrahams , S. C. 2001 . Ferroelectricity and structure in the YMnO3 family . Acta Crystallogr. B , 57 : 485 – 490 .
  • Katsufuji , T. , Mori , S. , Masaki , M. , Moritomo , Y. , Yamamoto , N. and Takagi , H. 2001 . Dielectric and magnetic anomalies and spin frustration in hexagonal RMnO3 (R = Y, Yb, and Lu) . Phys. Rev. B , 64 : 104419 – 6 .
  • Fiebig , M. , Frohlich , D. , Kohn , K. , Leute , St. , Lottermoser , Th. , Pavlov , V. V. and Pisarev , R. V. 2000 . Determination of the magnetic symmetry of hexagonal manganites by second harmonic generation . Phys. Rev. Lett. , 84 : 5620 – 5623 .
  • Fiebig , M. , Lottermoser , Th. , Frohlich , D. , Goltsev , A. V. and Pisarev , R. V. 2002 . Observation of coupled magnetic and electric domains . Nature , 419 : 818 – 820 .
  • Choi , T. , Horibe , Y. , Yi , T. H. , Choi , Y. J. , Weida , Wu and Cheong , S. W. 2010 . Insulating interlocked ferroelectric and structural antiphase domain walls in multiferroic YMnO3 . Nature Mat. , 9 : 253 – 258 .
  • Lee , S. , Pirogov , A. , Kang , M. , Jang , K. H. , Yonemura , M. , Kamiyama , T. , Cheong , S. W. , Gozzo , F. , Shin , N. , Kimura , H. , Noda , Y. and Park , J. G. 2008 . Giant magneto-elastic coupling in multiferroic hexagonal manganites . Nature , 451 : 805 – 808 .
  • Chatterji , T. , Ghosh , S. , Singh , A. , Regnault , L. P. and Rheinstadter , M. 2007 . Spin dynamics of YMnO3 studied via inelastic neutron scattering and the anisotropic Hubbard model . Phys. Rev. B. , 76 : 144406 – 10 .
  • Petit , S. , Moussa , F. , Hennion , M. , Pailhès , S. , Pinsard-Gaudart , L. and Ivanov , A. 2007 . Spin Phonon Coupling in Hexagonal Multiferroic YMnO3 . Phys. Rev. Lett. , 99 : 266604 – 4 .
  • Demmel , F. and Chatterji , T. 2007 . Persistent spin waves above the Néel temperature in YMnO3 . Phys. Rev. B , 76 : 212402 – 4 .
  • Kadlec , C. , Goian , V. , Rushchanskii , K. Z. , Kužel , P. , Ležaić , M. , Kohn , K. , Pisarev , R. V. and Kamba , S. 2011 . Terahertz and infrared spectroscopic evidence of phonon-paramagnon coupling in hexagonal piezomagnetic YMnO3 . Phys. Rev. B , 84 : 174120 – 8 .
  • Perdew , J. P. and Zunger , A. 1981 . Self-interaction correction to density-functional approximations for many-electron systems . Phys. Rev. B , 23 : 5048 – 5079 .
  • Kresse , G. and Hafner , J. 1993 . Ab initio molecular dynamics for liquid metals . Phys. Rev. B , 47 : 558 – 561 .
  • Kresse , G. and Furthmuller , J. 1996 . Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set . Phys. Rev. B , 54 : 11169 – 11186 .
  • Blochl , P. E. 1994 . Projector augmented-wave method . Phys. Rev. B , 50 : 17953 – 17979 .
  • Kresse , G. and Joubert , D. 1999 . From ultrasoft pseudopotentials to the projector augmented-wave method . Phys. Rev. B , 59 : 1758 – 1775 .
  • Anisimov , V. I. , Aryasetiawan , F. and Lichtenstein , A. I. 1997 . First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA+ U method . J. Phys.: Condens. Matter , 9 : 767 – 808 .
  • Dudarev , S. L. , Botton , G. A. , Savrasov , S. Y. , Humphreys , C. J. and Sutton , A. P. 1998 . Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study . Phys. Rev. B , 57 : 1505 – 1509 .
  • Medvedeva , J. E. , Anisimov , V. I. , Korotin , M. A. , Mryasov , O. N. and Freeman , A. J. 2000 . The effect of Coulomb correlation and magnetic ordering on the electronic structure of two hexagonal phases of ferroelectromagnetic YMnO3 . J. Phys.: Condens. Matter , 12 : 4947 – 4958 .
  • van Aken , B. B. , Palstra , T. T. M. , Filippetti , A. and Spaldin , N. A. 2004 . The origin of ferroelectricity in magnetoelectric YMnO3 . Nat. Mater. , 3 : 164 – 170 .
  • Alfe , D. 2009 . PHON: A program to calculate phonons using the small displacement method . Comp. Phys. Commun. , 180 : 2622 – 2633 .
  • Kunc , K. and Martin , R. M. 1982 . Ab initio force constants of GaAs: a new approach to calculation of phonons and dielectric properties . Phys. Rev. Lett. , 48 : 406 – 409 .
  • Iliev , M. N. , Lee , H. G. , Popov , V. N. , Abrashev , M. V. , Hamed , A. , Meng , R. L. and Chu , C. W. 1997 . Raman- and infrared-active phonons in hexagonal YMnO3: Experiment and lattice-dynamical calculations . Phys. Rev. B , 56 : 2488 – 2494 .
  • Zaghrioui , M. , Ta Phuoc , V. , Souza , R. A. and Gervais , M. 2008 . Polarized reflectivity and lattice dynamics calculation of multiferroic YMnO3 . Phys. Rev. B , 78 : 184305 – 6 .

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.