![fig](figs/grp-theory/theory-home.jpg)
Theory and simulations
2023
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Landau-Ginzburg-Devonshire theory of the chiral phase transition in 180° domain walls of PbTiO3
Phys. Rev. B 108, 104107 (2023).![fig](articles/figs/2023-Rauch.png
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Band alignment at the strontium germanate interface with silicon
Phys. Rev. B 107, 115303 (2023).![fig](articles/figs/2023-Marton.png
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Zigzag charged domain walls in ferroelectric PbTiO3
Phys. Rev. B 107, 094102 (2023).![fig](articles/figs/2023-Klic.png
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Orientational ordering of water molecules confined in beryl: A theoretical study
Phys. Rev. B 108, 064101 (2023).![fig](articles/figs/2023-Balaz.png
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Theory of superdiffusive spin transport in noncollinear magnetic multilayers
Phys. Rev. B 107, 174418 (2023).2022
![fig](articles/figs/2022-Balaz.png
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Interaction of in-plane magnetic skyrmions with 90° magnetic domain walls: micromagnetic simulations
Phys. Rev. Appl. 17, 044031 (2022).![fig](articles/figs/2022-Yan.png
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Single-impurity Anderson model out of equilibrium: A two-particle semianalytic approach
Phys. Rev. B 105, 085122 (2022).![fig](articles/figs/2022-Troster.png
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Hard antiphase domain boundaries in strontium titanate unravelled using machine-learned force fields
Phys. Rev. Mater.6, 094408 (2022).![fig](articles/figs/2022-Mayer.png
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Finite-temperature investigation of homovalent and heterovalent substituted BaTiO3 from first principles
Phys. Rev. B 106, 224109 (2022).![fig](articles/figs/2022-An.png
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Phase transition hysteresis at the antiferroelectric-ferroelectric boundary in PbZr1−xTixO3
Phys. Rev. B 106, 224103 (2022).2021
![fig](articles/figs/2021-Balaz.png
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Melting of Néel skyrmion lattice
Phys. Rev. B 103, 174411 (2021).![fig](articles/figs/2021-Hadjimichael.png
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Metal–ferroelectric supercrystals with periodically curved metallic layers
Nat. Mater. 20, 495 (2021).![fig](articles/figs/2021-Janis.png
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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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Polarization of domain boundaries in SrTiO3 studied by layer group and order-parameter symmetry
Phys. Rev. B 102, 184101 (2020).![fig](articles/figs/2020-Janis.png
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Curie-Weiss susceptibility in strongly correlated electron systems
Phys. Rev. B 102, 205120 (2020).![fig](articles/figs/2020-Ondrejkovic-chapter.png
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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.![fig](articles/figs/2020-Sumara.png
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Local properties and phase transitions in Sn doped antiferroelectric PbHfO3 single crystal
J. Phys.: Condens. Matter 32, 435402 (2020).![fig](articles/figs/2020-Schranz-JAP.png
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Contributions to polarization and polarization switching in antiphase boundaries of SrTiO3 and PbZrO3
J. Appl. Phys. 128, 1 (2020).2019
![fig](articles/figs/2019-Kuna.png
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Mesoscale modeling of polycrystalline light transmission
Acta Mater. 175, 82 (2019).![fig](articles/figs/2019-Pasciak.png
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Local structure of relaxor ferroelectric SrxBa1−xNb2O6 from a pair distribution function analysis
Phys. Rev. B 99, 104102 (2019).![fig](articles/figs/2019-Pitike.png
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Landau–Devonshire thermodynamic potentials for displacive perovskite ferroelectrics from first principles
J. Mater. Sci. 1573, 4803 (2019).2018
![fig](articles/figs/2018-Pasciak.png
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Dynamic Displacement Disorder of Cubic BaTiO3
Phys. Rev. Lett. 120, 167601 (2018).2013
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Piezoelectric properties of twinned ferroelectric perovskites with head-to-head and tail-to-tail domain walls
Phys. Rev. B 88, 024114 (2013).![fig](articles/figs/2013-Marton.jpg
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Divergence of dielectric permittivity near phase transition within ferroelectric domain boundaries
Phase Transitions 86, 103 (2013).2012 and older
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Polar nanoregions and diffuse scattering in the relaxor ferroelectric PbMg1/3Nb2/3O3
Phys. Rev. B 85, 224109 (2012).![fig](articles/figs/2012-Taherinejad.jpg
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Bloch-type domain walls in rhombohedral BaTiO3
Phys. Rev. B 86, 155138 (2012).![fig](articles/figs/2012-Stepkova.jpg
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Stress-induced phase transition in ferroelectric domain walls of BaTiO3
J. Phys.: Condens. Matter 24, 212201 (2012).![fig](articles/figs/2012-Marton.jpg
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Phonon frequencies of tetragonally strained PbTiO3 from first principles
Phase Transitions 86, 200 (2012).![fig](articles/figs/empty.jpg
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Mean-field solution of the Potts glass near the transition temperature to the ordered phase
Phys. Rev. B 84, 064446 (2011).![fig](articles/figs/2010-Marton.jpg
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