References
- Kobayashi , K. 1968 . Dynamical theory of the phase transition in KH2PO4-type ferroelectric crystals . J. Phys. Soc. Jpn. , 24 : 497
- Popova , E. A. and Bystrov , D. S. 1987 . The vibrational spectra and the nature of the KDP paraelectric phase . Ferroelectrics , 72 : 45
- Koval , S. , Kohanoff , J. , Lasave , J. , Colizzi , G. and Migoni , R. L. 2005 . First-principles study of ferroelectricity and isotope effects in H-bonded crystals . Phys. Rev. B , 71 : 184102
- Baroni , S. , Dalorso , A. C. , de Gironcoli , S. , Giannozzi , P. , Cavazzoni , C. , Ballabio , G. , Scandolo , S. , Chiarotti , G. , Focher , P. , Pasquarello , A. , Laasonen , K. , Trave , A. , Car , R. , Marzari , N. and Kokalj , A. www.pwscf.org
- Nelmes , R. J. , Tun , Z. and Kuhs , W. F. 1987 . A compilation of accurate structural parameters for KDP and DKDP, and user's guide to their crystal structures . Ferroelectrics , 71 : 125
- Perdew , J. P. , Burke , K. and Ernzerhof , M. 1996 . Generalized gradient approximation made simple . Phys. Rev. Lett. , 77 : 3865
- Troullier , N. and Martins , J. L. 1991 . Efficient pseudopotentials for plane-wave calculations . Phys. Rev. B , 43 : 1993
- Vanderbilt , D. 1990 . Soft self-consistent pseudopotentials in a generalized eigenvalue formalism . Phys. Rev. B , 41 : 7892
- Shur , M. S. 1966 . Group-theory analysis and basis vectors of normal longwave vibrations of crystals having the KH2PO4 structure above their Curie points . Soviet Phys. Crystallography , 11 : 394
- Cochran , W. 1960 . Crystal stability and the theory of ferroelectricity . Adv. Phys. , 9 : 387
- Fujiwara , T. 1970 . Notice on the lattice dynamical aspect of the ferroelectric modes of KDP . J. Phys. Soc. Jpn. , 29 : 1282
- She , C. Y. , Broberg , T. W. , Wall , L. S. and Edwards , D. F. 1972 . Effect of Proton-Phonon coupling on the Ferroelectric mode in KH2PO4 . Phys.Rev. B , 6 : 1847
- Brehat , F. and Wyncke , B. 1988 . Temperature dependence of the optical phonon spectra of deuterated dihydrogen phosphate between 7 and 300 K studied by infrared reflectivity spectroscopy . J. Phys. C , 21 : 4853
- Simon , P. , Gervais , F. and Courtens , E. 1988 . Paraelectric-ferroelectric phase transitions of KH2PO4, RbH2PO4 and KH2AsO4 studied by infrared reflectivity . Phys. Rev. B , 37 : 1969
- Slater , J. C. 1941 . Theory of the transition in KH2PO4 . J. Chem. Phys. , 9 : 16
- Lasave , J. , Koval , S. , Dalal , N. S. and Migoni , R. L. 2005 . Slater and Takagi defects in KDP from first principles . Phys. Rev. B , 72 : 104104
- Takagi , Y. 1948 . On the phase transition of KDP crystals: comments on the interpretations of Raman spectra . J. Phys. Soc. Jpn. , 3 : 271
- Baroni , S. , de Gironcoli , S. , dal Corso , A. and Gianozzi , P. 2001 . Phonons and related crystal properties from density-functional perturbation theory . Rev. Mod. Phys. , 73 : 515