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Section 3: Phases transitions (including incommensurate and ferroelastic)

High-pressure neutron-diffraction studies of KH2PO4-type phase transitions as Tc tends to ok

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Pages 355-360 | Published online: 10 Feb 2011

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S. Koval, J. Lasave, J. Kohanoff & R. Migoni. (2010) Shell Model Study of Local and Global Energy Barriers in KDP. Ferroelectrics 401:1, pages 103-109.
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G. COLIZZI, J. KOHANOFF, J. LASAVE, S. KOVAL & R.L. MIGONI. (2004) Ab-Initio Investigations of Pressure Effects on the Ferroelectric Instabilities in KDP and DKDP. Ferroelectrics 301:1, pages 61-64.
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S.A. Hayward, M.C. Gallardo & E.K.H. Salje. (2001) Ferroelectric phase transition in DKDP: A macroscopic order-disorder model. Ferroelectrics 255:1, pages 123-137.
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EkhardK. H. Salje. (1999) Ferroelastic phase transitions and mesoscopic structures. Ferroelectrics 221:1, pages 1-7.
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B. Silvi, Z. Latajka & H. Ratajczak. (1993) Pseudopotential periodic hartree-fock investigation of potassium dihydrogen phosphate. Ferroelectrics 150:1, pages 303-311.
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Guokai Hao, Xin Ju, Xun Sun, Baoan Liu, Lisong Zhang, Yanlu Li, Xiangxu Chai, Lei Wei, Pengcheng Wu, Liening Wei, Yang Li & Mingxia Xu. (2023) First-principles calculation of KH2PO4 anharmonic force constants phonon dispersion curves. Physica B: Condensed Matter 668, pages 415261.
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R. Menchón, G. Colizzi, C. Johnston, F. Torresi, J. Lasave, S. Koval, J. Kohanoff & R. Migoni. (2018) Ab initio study of the structure, isotope effects, and vibrational properties in KDP crystals . Physical Review B 98:10.
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Bianca Haberl, Sachith Dissanayake, Yan Wu, Dean A. A. Myles, Antonio M. dos Santos, Mark Loguillo, Gerald M. Rucker, Douglas P. Armitage, Malcolm Cochran, Katie M. Andrews, Christina Hoffmann, Huibo Cao, Masaaki Matsuda, Flora Meilleur, Feng Ye, Jamie J. Molaison & Reinhard Boehler. (2018) Next-generation diamond cell and applications to single-crystal neutron diffraction. Review of Scientific Instruments 89:9.
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J. Lasave, P. Abufager & S. Koval. (2016) Ab initio study of the one-dimensional H-bonded ferroelectric . Physical Review B 93:13.
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Weizhao Cai & Andrzej Katrusiak. (2013) Structure of the high-pressure phase IV of KH 2 PO 4 (KDP) . Dalton Trans. 42:4, pages 863-866.
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J. Lasave, S. Koval, R. L. Migoni & N. S. Dalal. (2011) Ab initio studies of the para- and antiferroelectric structures and local polarized configurations in NH4H2PO4 . The Journal of Chemical Physics 135:8.
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Varadharajan Srinivasan & Daniel Sebastiani. (2011) The Isotope-Effect in the Phase Transition of KH 2 PO 4 : New Insights from Ab Initio Path-Integral Simulations . The Journal of Physical Chemistry C 115:25, pages 12631-12635.
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G Reiter, A Shukla, P M Platzman & J Mayers. (2008) Deuteron momentum distribution in KD 2 PO 4 . New Journal of Physics 10:1, pages 013016.
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Dalibor Merunka & Boris Rakvin. (2007) Pressure effects on soft-mode dynamics in KDP-type ferroelectrics. Physica B: Condensed Matter 391:1, pages 28-34.
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S. Koval, J. Kohanoff, J. Lasave, G. Colizzi & R. L. Migoni. (2005) First-principles study of ferroelectricity and isotope effects in H-bonded crystals . Physical Review B 71:18.
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Dalibor Merunka & Boris Rakvin. (2004) Correlation between hydrogen bond geometry and phase transition temperature in KDP-type ferroelectrics. Chemical Physics Letters 393:4-6, pages 558-562.
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S Endo, K Deguchi & M Tokunaga. (2002) Vanishing of T c and appearance of quantum paraelectricity in KD 2 PO 4 and KH 2 PO 4 under high pressure . Journal of Physics: Condensed Matter 14:44, pages 11275-11283.
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S. Koval, J. Kohanoff, R. L. Migoni & E. Tosatti. (2002) Ferroelectricity and Isotope Effects in Hydrogen-Bonded KDP Crystals. Physical Review Letters 89:18.
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Qing Zhang, F. Chen, Nicholas Kioussis, S. G. Demos & H. B. Radousky. (2001) Ab initio study of the electronic and structural properties of the ferroelectric transition in . Physical Review B 65:2.
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S. Endo, T. Sawada, T. Tsukawake, Y. Kobayashi, M. Ishizuka, K. Deguchi & M. Tokunaga. (1999) Vanishing of the ferroelectric state with a finite Curie constant in the hydrogen-bond crystal KD2PO4 at high pressure. Solid State Communications 112:12, pages 655-660.
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C. Falah, L. Smiri-Dogguy, A. Driss & T. Jouini. (1998) Préparation et Determination Structurale de la Forme Haute Temperature de KH2PO4. Journal of Solid State Chemistry 141:2, pages 486-491.
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Marceli Koralewski, Jadwiga Stankowska, Tomas Iglesias & Julio A Gonzalo. (1996) The effect of uniaxial pressure on the ferroelectric phase transition of TGSe crystals. Journal of Physics: Condensed Matter 8:22, pages 4079-4093.
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Guokai Hao, Xin Ju, Xun Sun, Baoan Liu, Lisong Zhang, Yanlu Li, Xiangxu Chai, Pengcheng Wu, Liening Wei, Yang Li & Mingxia Xu. (2022) First-Principles Calculation of Kh2po4 Anharmonic Force Constants Phonon Dispersion Curves. SSRN Electronic Journal.
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