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Department of Dielectrics

Institute of Physics of the Czech Academy of Sciences


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Theory and simulations

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2023
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I. Rychetsky, W. Schranz, and A. Tröster

Landau-Ginzburg-Devonshire theory of the chiral phase transition in 180° domain walls of PbTiO3

Phys. Rev. B 108, 104107 (2023).
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T. Rauch, P. Márton, S. Botti, and J. Hlinka

Band alignment at the strontium germanate interface with silicon

Phys. Rev. B 107, 115303 (2023).
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P. Marton, M.A.P. Gonçalves,M. Paściak, S. Körbel, V. Chumchal, M. Plešinger, A. Klíč, and J. Hlinka

Zigzag charged domain walls in ferroelectric PbTiO3

Phys. Rev. B 107, 094102 (2023).
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A. Klíč, V. Janiš, and F. Kadlec

Orientational ordering of water molecules confined in beryl: A theoretical study

Phys. Rev. B 108, 064101 (2023).
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P. Baláž, M. Zwierzycki, F. Cosco, K. Carva, P. Maldonado, and P. M. Oppeneer

Theory of superdiffusive spin transport in noncollinear magnetic multilayers

Phys. Rev. B 107, 174418 (2023).
2022
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P. Baláž

Interaction of in-plane magnetic skyrmions with 90° magnetic domain walls: micromagnetic simulations

Phys. Rev. Appl. 17, 044031 (2022).
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J. Yan and V. Janiš

Single-impurity Anderson model out of equilibrium: A two-particle semianalytic approach

Phys. Rev. B 105, 085122 (2022).
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A. Tröster, C. Verdi, C. Dellago, I. Rychetsky, G. Kresse, and W. Schranz

Hard antiphase domain boundaries in strontium titanate unravelled using machine-learned force fields

Phys. Rev. Mater.6, 094408 (2022).
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F. Mayer, M. N. Popov, P. Ondrejkovic, J. Hlinka, J. Spitaler, and M. Deluca

Finite-temperature investigation of homovalent and heterovalent substituted BaTiO3 from first principles

Phys. Rev. B 106, 224109 (2022).
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Z. An, S. Xie, P. Ondrejkovic, P. Marton, E. de Prado, H. Yokota, W. Ren, Z.-G. Ye, A. M. Glazer, M. Paściak, and N. Zhang

Phase transition hysteresis at the antiferroelectric-ferroelectric boundary in PbZr1−xTixO3

Phys. Rev. B 106, 224103 (2022).
2021
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P. Baláž, M. Paściak and J. Hlinka

Melting of Néel skyrmion lattice

Phys. Rev. B 103, 174411 (2021).
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M. Hadjimichael, Y. Li, E. Zatterin, G. A. Chahine, M. Conroy, K. Moore, E. N. O’ Connell, P. Ondrejkovic, P. Marton, J. Hlinka, U. Bangert, S. Leake, and P. Zubko

Metal–ferroelectric supercrystals with periodically curved metallic layers

Nat. Mater. 20, 495 (2021).
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V. Janiš and J. Yan

Many-body perturbation theory for the superconducting quantum dot: Fundamental role of the magnetic field

Phys. Rev. B 103, 235163 (2021).
2020
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W. Schranz, C. Schuster, A. Tröster, and I. Rychetský

Polarization of domain boundaries in SrTiO3 studied by layer group and order-parameter symmetry

Phys. Rev. B 102, 184101 (2020).
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V. Janiš, A. Klíč, J. Yan, and V. Pokorný,

Curie-Weiss susceptibility in strongly correlated electron systems

Phys. Rev. B 102, 205120 (2020).
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P. Ondrejkovic, P. Marton, V. Stepkova, and J. Hlinka,

Fundamental properties of ferroelectric domain walls from Ginzburg-Landau models, Chapter 4 in Domain Walls: From Fundamental Properties to Nanotechnology Concepts, edited by Dennis Meier, Jan Seidel, Marty Gregg, and Ramamoorthy Ramesh,

Series on Semiconductor Science and Technology, Oxford University Press, 2020, pp. 76-108.
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I. Jankowska-Sumara, M. Paściak, M. Kądziołka-Gaweł, M. Podgórna, A. Majchrowski, and K. Roleder,

Local properties and phase transitions in Sn doped antiferroelectric PbHfO3 single crystal

J. Phys.: Condens. Matter 32, 435402 (2020).
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W. Schranz, A. Tröster, I. Rychetský,

Contributions to polarization and polarization switching in antiphase boundaries of SrTiO3 and PbZrO3

J. Appl. Phys. 128, 1 (2020).
2019
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J. Hlinka,

Doubling up piezoelectric performance

Science 364, 228 (2019).
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L. Kuna, J. Mangeri, E. P. Gorzkowski, J. A. Wollmershauser, and S. Nakhmanson,

Mesoscale modeling of polycrystalline light transmission

Acta Mater. 175, 82 (2019).
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M. Paściak, P. Ondrejkovic, J. Kulda, P. Vaněk, J. Drahokoupil, G. Steciuk, L. Palatinus, T. R. Welberry, H. E. Fischer, J. Hlinka, and E. Buixaderas,

Local structure of relaxor ferroelectric SrxBa1−xNb2O6 from a pair distribution function analysis

Phys. Rev. B 99, 104102 (2019).
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K. C. Pitike, N. Khakpash, J. Mangeri, G. A. Rossetti Jr. and S. M. Nakhmanson,

Landau–Devonshire thermodynamic potentials for displacive perovskite ferroelectrics from first principles

J. Mater. Sci. 1573, 4803 (2019).
2018
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M. Paściak, T. R. Welberry, J. Kulda, S. Leoni, and J. Hlinka,

Dynamic Displacement Disorder of Cubic BaTiO3

Phys. Rev. Lett. 120, 167601 (2018).
2013
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P. Ondrejkovic, P. Marton, M. Guennou, N. Setter, and J. Hlinka,

Piezoelectric properties of twinned ferroelectric perovskites with head-to-head and tail-to-tail domain walls

Phys. Rev. B 88, 024114 (2013).
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P. Marton, V. Stepkova, and J. Hlinka,

Divergence of dielectric permittivity near phase transition within ferroelectric domain boundaries

Phase Transitions 86, 103 (2013).
2012 and older
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M. Paściak, T.R. Welberry, J. Kulda, M. Kempa, and J. Hlinka,

Polar nanoregions and diffuse scattering in the relaxor ferroelectric PbMg1/3Nb2/3O3

Phys. Rev. B 85, 224109 (2012).
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M. Taherinejad, D. Vanderbilt, P. Marton, V. Stepkova, and J. Hlinka,

Bloch-type domain walls in rhombohedral BaTiO3

Phys. Rev. B 86, 155138 (2012).
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V. Stepkova, P. Marton, and J. Hlinka,

Stress-induced phase transition in ferroelectric domain walls of BaTiO3

J. Phys.: Condens. Matter 24, 212201 (2012).
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P. Marton and J. Hlinka,

Phonon frequencies of tetragonally strained PbTiO3 from first principles

Phase Transitions 86, 200 (2012).
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V. Janiš and A. Klíč,

Mean-field solution of the Potts glass near the transition temperature to the ordered phase

Phys. Rev. B 84, 064446 (2011).
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P. Marton, I. Rychetsky, and J. Hlinka,

Domain walls of ferroelectric BaTiO3 within the Ginzburg-Landau-Devonshire phenomenological model

Phys. Rev. B 81, 144125 (2010).