Dynamic local distortions in KNbO3

Keywords

Ferroelectricity, Condensed matter physics, Phase transition, Brillouin zone, Hamiltonian (control theory)

References

• Critical Neutron Scattering in SrTi O 3 and KMn F 3S. M. Shapiro, J. D. Axe, G. Shirane — 1972
• Nonlinear molecular dynamics and Monte Carlo algorithms.James Lill, Jeremy Q. Broughton — 1992
• The chain structure of BaTiO3 and KNbO3R. Comès, M. Lambert, A. Guinier — 1968
• Linear chain structure in cubic KNbO3 and BaTiO3M. Holma, Naohisa Takesue, Haydn Chen — 1995
• Ferroelectric phase transitions: A first-principles approachK. M. Rabe, Umesh V. Waghmare — 1995
• Local atomic structure of PZT and PLZT studied by pulsed neutron scatteringS. Teslic, T. Egami, D. Viehland — 1996
• Molecular-dynamics study of a three-dimensional one-component model for distortive phase transitionsT. Schneider, E. Stoll — 1978
• Displacement correlation and anomalous x-ray scattering in BaTiO3Alfred Hüller — 1969
• Phonon dispersion and anharmonicity in cubic KNbO3M. Holma, Haydn Chen — 1996
• Localized basis for effective lattice Hamiltonians: Lattice Wannier functions.Karin M. Rabe, Umesh V. Waghmare — 1994
• Structural disorder in perovskite ferroelectric crystals as revealed by XAFSEdward A. Stern, Y. Yacoby — 1996
• Effective Hamiltonian for the ferroelectric phase transitions in KNbO3U. V. Waghmare, K. M. Rabe, Henry Krakauer — 1998
• Infrared spectroscopy in KNbO3 through the successive ferroelectric phase transitionsM.D. Fontana, G. Métrat, J. L. Servoin — 1984
• Precursor structures in ferroelectrics from first-principles calculationsHenry Krakauer, Rici Yu, Chengzhang Wang — 1998
• AB initio phonon dispersion curves and interatomic force constants of barium titanatePhilippe Ghosez, Xavier Gonze, J.-P. Michenaud — 1997
• Raman spectrum in PbTiO3 re-examined: dynamics of the soft phonon and the central peakM.D. Fontana, H. Idrissi, G. E. Kugel — 1991
• Désordre linéaire dans les cristaux (cas du silicium, du quartz, et des pérovskites ferroélectriques)R. Comès, M. Lambert, A. Guinier — 1970
• First-Principles Determination of Chain-Structure Instability in KNbO3.Rici Yu, Henry Krakauer — 1994
• Ab initio statistical mechanics of the ferroelectric phase transition in PbTiO 3Umesh V. Waghmare, Karin M. Rabe — 1996
• Soft phonon dispersion in BaTiO3Alfred Hüller — 1969

Cited by

• Theoretical Methods of Domain Structures in Ultrathin Ferroelectric Films: A Review肖秋菊 — 2014
• Coupling of emergent octahedral rotations to polarization in (K,Na)NbO3 ferroelectricsBaltasar Cuartero y Huerta — 2017
• One hundred years of diffuse scatteringT. R. Welberry, Thomas Weber — 2016
• Nanoscale Atomic Displacements Ordering for Enhanced Piezoelectric Properties in Lead‐Free ABO3 FerroelectricsAbhijit Pramanick, Mads R. V. Jørgensen, Souleymane Diallo — 2015
• Local structure of interstitial Zn in β‐Zn4Sb3Eric S. Toberer, Keita Sasaki, C. Chisholm — 2007
• Linear electro-optical properties of orthorhombic KNbO3P. U. Sastry — 2002
• An atomistic approach to the dielectric modes of BaTiO3 and SrTiO3Hai-Yao Deng, Chi‐Hang Lam, Haitao Huang — 2011
• Ferroelectric and octahedral tilt twin disorder and the lead-free piezoelectric, sodium potassium niobate systemJason Schiemer, Ray L. Withers, Yun Liu — 2012
• Diffuse scattering anisotropy and the P21/a ↔ A2/a phase transition in titanite, CaTiOSiO4Thomas Malcherek, Carsten Paulmann, M. C. Domeneghetti — 2001
• Domain structure in ultrathin ferroelectric films: Analysis with a free energy modelY. Yacoby, Yakov Girshberg, Edward A. Stern — 2006
• Structural evolution of Nasub 0.5Ksub 0.5NbOsub 3 at high temperaturesNobuo Ishizawa, Jun Wang, Terutoshi Sakakura — 2010
• Order–disorder character of PbTiO3Young‐Han Shin, Jong-Yeog Son, Byeong‐Joo Lee — 2008
• TERAHERTZ DIELECTRIC RESPONSE AND COUPLED DYNAMICS OF FERROELECTRICS AND MULTIFERROICS FROM EFFECTIVE HAMILTONIAN SIMULATIONSDAWEI WANG, JEEVAKA WEERASINGHE, ABDULLAH ALBARAKATI — 2013
• Quantitative analysis of the first-principles effective-Hamiltonian approach to ferroelectric perovskitesSilvia Tinte, Jorge Íñiguez, Karin M. Rabe — 2002
• Maximally-localized Wannier Functions: Theory and ApplicationsNicola Marzari, Arash A. Mostofi, Jonathan R. Yates — 2011
• Structurally frustrated polar nanoregions in BaTaO2N and the relationship between its high dielectric permittivity and that of BaTiO3Ray L. Withers, Yun Liu, Patrick M. Woodward — 2008
• Terahertz dielectric response of cubic Ba Ti O 3I. Ponomareva, L. Bellaïche, T. Ostapchuk — 2008
• More accurate generalized gradient approximation for solidsZhigang Wu, R. E. Cohen — 2005
• On the nature of ferroelectricity in Sr1−xAxTiO3 and KTa1−xNbxO3 solid solutionsО. Е. Kvyatkovskii — 2002
• High sensitivity of 17O NMR to p-d hybridization in transition metal perovskites: first principles calculations of large anisotropic chemical shielding.Daniel L. Pechkis, Eric J. Walter, Henry Krakauer — 2009

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