76
Views
3
CrossRef citations to date
0
Altmetric
SECTION A: THEORIES, MODELING, DOMAINS, PHASE TRANSITIONS AND CRITICAL PHENOMENA

Shell Model Study of Local and Global Energy Barriers in KDP

, , &
Pages 103-109 | Received 23 Aug 2009, Accepted 20 Oct 2009, Published online: 01 Dec 2010

References

  • Lines , M. E. and Glass , A. M. 1977 . Principles and Applications of Ferroelectric and Related Materials , Oxford : Clarendon Press .
  • Blinc , R. 1960 . On the isotopic effects in the ferroelectric behaviour of crystals with short hydrogen bonds . J. Phys. Chem. Solids , 13 : 204
  • Kobayashi , K. 1968 . Dynamical theory of the phase transition in KH2PO4-type ferroelectric crystals . J. Phys. Soc. Jpn. , 24 : 497
  • Merunka , D. and Rakvin , B. 2004 . Displacive and order-disorder behavior of KDP-type ferroelectrics on the local scale . Solid State Comm. , 129 : 375 ; Adiabatic approximations of coupled dipole-proton model for hydrogen-bonded ferroelectrics. Phys. Rev. B, 76, 140101(R) (2007)
  • Sugimoto , H. and Ikeda , S. 1991 . Isotope effects in hydrogen-bonded crystal KH2PO4 . Phys. Rev. Lett. , 67 : 1306
  • Nelmes , R. J. , McMahon , M. I. , Piltz , R. O. and Wright , N. G. 1991 . High-pressure neutron-diffraction studies of KH2PO4-type phase transitions as Tc tends to 0 K . Ferroelectrics , 124 : 355
  • Koval , S. , Kohanoff , J. , Migoni , R. L. and Tossati , E. 2002 . Ferroelectricity and isotope effects in hydrogen-bonded KDP crystals . Phys. Rev. Lett. , 89 : 187602
  • Koval , S. , Kohanoff , J. , Lasave , J. , Colizzi , G. and Migoni , R. L. 2005 . First-principles study of ferroelectricity and isotope effects in H-bonded KH2PO4 crystals . Phys. Rev. B , 71 : 184102
  • Lasave , J. , Kohanoff , J. , Migoni , R. L. and Koval , S. 2009 . A shell model for the H-bonded ferroelectric KH2PO4 . Physica B , 404 : 2736
  • Lasave , J. , Koval , S. , Dalal , N. S. and Migoni , R. L. 2007 . Origin of antiferroelectricity in NH4H2PO4 from first principles . Phys. Rev. Lett. , 98 : 267601
  • Lasave , J. , Koval , S. , Dalal , N. S. and Migoni , R. 2005 . Slater and Takagi defects in KH2PO4 from first principles . Phys. Rev. B , 72 : 104104
  • Schmidt , V. H. , Bohannan , G. , Arbogast , D. and Tuthill , G. 2000 . Domain wall freezing in KDP-type ferroelectrics . J. Phys. Chem. Solids , 61 : 283
  • Gale , Julian D. 1997 . GULP: a computer program for the symmetry-adapted simulation of solids . J. Chem. Soc., Faraday Trans. , 93 : 629
  • Nelmes , R. J. , Tun , Z. and Kuhs , W. F. 1987 . A compilation of accurate structural parameters for KDP and DKDP, and a users’ guide to their crystal structures . Ferroelectrics , 71 : 125
  • Robertson , J. M. and Ubbelohde , A. R. 1939 . Structure and thermal properties associated with some hydrogen bonds in crystals. I. The isotope effect . Proc. R. Soc. London A , 170 : 222
  • Koval , S. , Kohanoff , J. , Migoni , R. L. and Bussmann-Holder , A. 2001 . Interplay between proton ordering and ferroelectric polarization in H-bonded KDP-type crystals . Comp. Mater. Sci. , 22 : 87

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.