arXiv subjects

Yulian M. Vysochanskii

Publications and source records attributed to Yulian M. Vysochanskii.

At least 19 recordsLinked to original sources

arXiv2026

Flexo-Strain Engineering of Phonons and Ferrons in Thin Films of Van der Waals Ferrielectrics

The influence of the flexoelectric coupling on the fluctuations of electric polarization and elastic strains can lead to the principal changes of the dispersion law of soft optical and acoustic phonons and ferrons in a bulk van der Waals ferrielectric. Since the size, gradient and strain effects determine phase diagrams and polarization behavior in thin films, it is reasonable to assume that the flexocoupling and mismatch strains should have a strong influence on the dispersion of phonons and ferrons in thin ferroelectric films. Using the Landau-Ginzburg-Devonshire approach, in this work we reveal that the dispersion of soft optical and acoustic phonons and ferrons is strongly dependent on the sign and magnitude of elastic strains, which originate from the lattice constants mismatch in thin strained films of van der Waals ferrielectric CuInP2S6. In particular, the frequency of acoustic phonons and ferrons approaches zero at nonzero wavevectors k>k_cr, where the critical value of the wavevector k_cr is determined by the mismatch strain, flexoelectric coupling strength and temperature. Zeroing of the acoustic phonon frequency, that appears with increase of tensile strains, indicates a possible emergence of a spatially modulated incommensurate polar phase induced by the flexo-strain effects. Analytical results, derived in this work, open the way for flexo-strain engineering of soft phonon and ferron dispersion in thin films of van der Waals ferrielectrics.

cond-mat.mtrl-sci↗

arXiv2026

Strong coupling between coherent ferrons and cavity acoustic phonons

Coherent ferrons, the quanta of polarization waves, can potentially be hybridized with many other quasiparticles for achieving novel control modalities in quantum communication, computing, and sensing. Here, we theoretically demonstrate a new hybridized state resulting from the strong coupling between fundamental-mode (wavenumber is zero) coherent ferrons and cavity bulk acoustic phonons. Using a van der Waals ferroelectric CuInP2S6 membrane as an example, we predict an ultra-strong ferron-phonon coupling at room temperature, where the coupling strength g_c reaches over 10% of the resonant frequency ω_0. We also predict an in-situ bistable electric-field control of mode-specific ferron-phonon hybridization via ferroelectric switching. We further show that CuInP2S6 allows for reaching the fundamentally intriguing but challenging deep strong coupling regime (i.e., g_c/ω_0>1) near the ferroelectric-to-paraelectric phase transition. Our findings establish the theoretical basis for exploiting coherent ferron as a new contender for hybrid quantum system with strong and highly tunable coherent coupling

cond-mat.mtrl-sci↗

arXiv2025

The Influence of Electric Field on the Anisotropic Dispersion of the Flexocoupling Induced Phonons and Ferrons in Van der Waals Ferrielectrics

As has been shown recently, the influence of the flexoelectric coupling (shortly "flexocoupling") on the fluctuations of electric polarization and elastic strains can lead to the principal changes of the dispersion law of soft optical and acoustic phonons (shortly "flexophonons") and ferrons (shortly "flexoferrons") in van der Waals ferrielectrics. Analytical results, derived in the framework of Landau-Ginzburg-Devonshire approach, revealed that the dispersion of flexophonons and flexoferrons is strongly anisotropic and should depend on the magnitude and direction of applied electric field. In this work we study the influence of applied electric field on the anisotropic dispersion of the flexophonons and flexophonons in a uniaxial van der Waals ferrielectric CuInP2S6. We reveal that the frequency of acoustic flexophonons and flexoferrons tends to zero at nonzero wavevectors under increase of applied electric field. We relate the changes with a possible appearance of a spatially modulated incommensurate polar phase induced by the flexocoupling in external field. The critical strength of flexocoupling is determined by the magnitude of electric field and direction of the wavevector. This allows us to propose a method for estimating the strength of flexocoupling in van der Waals ferrielectrics, providing that the frequency of the acoustic flexophonon is zeroing at the threshold value of the electric field. Since the flexoelectric coefficients are poorly known in van der Waals ferrielectrics, obtained analytical results can be useful for their flexo-engineering.

cond-mat.mtrl-sci↗

arXiv2025

Flexocoupling-induced phonons and ferrons in van der Waals ferroelectrics

The contribution of flexoelectric coupling to the long-range order parameter fluctuations in ferroics can be critically important to the ferron dispersion and related polar, pyroelectric and electrocaloric properties. Here we calculate analytically the dispersion relations of soft optic and acoustic flexocoupling-induced phonons and ferrons by incorporating the flexoelectric coupling, damping, and higher elastic gradients in the Landau-Ginzburg-Devonshire free energy functional using the van der Waals uniaxial ferrielectric CuInP2S6 as an example. We analyze the changes in the flexocoupling-induced phonon and ferron spectra arising from the appearance of spatially modulated phases induced by the flexoelectric coupling. We show that the free energy landscape of CuInP2S6 determines the specific features of its phonon spectra and ferron dispersion. We also discuss the contributions of optic and acoustic flexocoupling-induced ferrons to the pyroelectric and electrocaloric responses of CuInP2S6 at low temperatures.

cond-mat.mtrl-sci↗

arXiv2024

Pressure-induced toroidal order in molecular Sn$_2$P$_2$S$_6$ ferroelectrics

For the Sn$_2$P$_2$S$_6$ crystalline compound with a rich temperature--pressure phase diagram that contains the ferroelectric phase, semiconductor-to-metal transition, and superconductive state, \mbox{\textit{ab initio}} molecular dynamics calculations were performed on a single unit cell and on a superstructure using an evolutionary algorithm in combination with density functional theory calculations to study structural transformations resulting from rearrangements in chemical bonds under pressure. The structure models of the pressure-induced lowest energy phases in the molecular Sn$_2$P$_2$S$_6$ crystal demonstrate the possibility of space-arranged chains or rings of P$_2$S$_6$ molecules. Pressure can break P-P bonds of P$_2$S$_6$ molecules, causing one of the phosphorous atoms to displace into the sulfur-formed octahedron and providing another phosphorous atom into an octahedral coordination with two tin atoms and four sulfur atoms. The results of the modeling correlate with the gradual rise of deviation of the pressure dependence of the unit cell volume of the Sn$_2$P$_2$S$_6$ structure, as determined by X-ray diffraction experiments, from the dependence calculated with the Birch-Murnaghan equation of state. It also reveals toroidally ordered local dipoles in the centrosymmetric phase, which may be related to the previously observed superconductivity in the high-pressure metallic phase of Sn$_2$P$_2$S$_6$.

cond-mat.mtrl-sci↗

arXiv2024

Ferri-ionic Coupling in CuInP$_2$S$_6$ Nanoflakes: Polarization States and Controllable Negative Capacitance

We consider nanoflakes of van der Waals ferrielectric CuInP$_2$S$_6$ covered by an ionic surface charge and reveal the appearance of polar states with relatively high polarization ~5 microC/cm$^2$ and stored free charge ~10 microC/cm$%2$, which can mimic "mid-gap" states associated with a surface field-induced transfer of Cu and/or In ions in the van der Waals gap. The change in the ionic screening degree and mismatch strains induce a broad range of the transitions between paraelectric phase, antiferroelectric, ferrielectric, and ferri-ionic states in CuInP$_2$S$_6$ nanoflakes. The states' stability and/or metastability is determined by the minimum of the system free energy consisting of electrostatic energy, elastic energy, and a Landau-type four-well potential of the ferrielectric dipole polarization. The possibility to govern the transitions by strain and ionic screening can be useful for controlling the tunneling barrier in thin film devices based on CuInP$_2$S$_6$ nanoflakes. Also, we predict that the CuInP$_2$S$_6$ nanoflakes reveal features of the controllable negative capacitance effect, which make them attractive for advanced electronic devices, such as nano-capacitors and gate oxide nanomaterials with reduced heat dissipation.

physics.app-ph↗

arXiv2024

Size Effect of Negative Capacitance State and Subthreshold Swing in Van der Waals Ferrielectric Field-Effect Transistors

Analytical calculations corroborated by the finite element modelling show that thin films of Van der Waals ferrielectrics covered by a 2D-semiconductor are promising candidates for the controllable reduction of the dielectric layer capacitance due to the negative capacitance (NC) effect emerging in the ferrielectric film. The NC state is conditioned by energy-degenerated poly-domain states of the ferrielectric polarization induced in the films under incomplete screening conditions in the presence of a dielectric layer. Calculations performed for the FET-type heterostructure "ferrielectric CuInP2S6 film - 2D-MoS2 single-layer - SiO2 dielectric layer" reveal the pronounced size effect of the multilayer capacitance. Derived analytical expressions for the electric polarization and multilayer capacitance allow to predict the thickness range of the dielectric layer and ferrielectric film for which the NC effect is the most pronounced in various Van der Waals ferrielectrics, and the corresponding subthreshold swing becomes much less than the Boltzmann's limit. Obtained results can be useful for the size and temperature control of the NC effect in the steep-slope ferrielectric FETs.

cond-mat.mtrl-sci↗

arXiv2024

Strain-polarization coupling in the low-dimensional Van der Waals Ferrielectrics

Using the Landau-Ginzburg-Devonshire phenomenological approach we explore the strain-polarization coupling in the low-dimensional van der Waals ferrielectrics. We evolve the analytical model of the piezoelectric susceptibility of the material in response to the periodic strain modulation, such as caused by a surface acoustic wave. Numerical calculations are performed for recently discovered and poorly studied ultrathin layers of the van der Waals ferrielectric CuInP2S6, which are very promising candidates for advanced nanoelectronics. We obtained that the temperature dependences of the dielectric and piezoelectric susceptibilities, and elastic compliance of the ultrathin CuInP2S6 layer have a sharp maximum at the temperature of CuInP2S6 paraelectric-ferrielectric phase transition near 320 K. The magnitudes of the dielectric and piezoelectric susceptibilities, and elastic compliance depend significantly on the modulation period of the surface acoustic wave. Obtained results explore the potential of ultrathin CuInP2S6 layers for application in piezoelectric and straintronic devices.

cond-mat.mtrl-sci↗

arXiv2023

Light-Induced Transitions of Polar State and Domain Morphology of Photo-Ferroelectric Nanoparticles

Using the Landau-Ginzburg-Devonshire approach, we study light-induced phase transitions, evolution of polar state and domain morphology in photo-ferroelectric nanoparticles (NPs). Light exposure increases the free carrier density near the NP surface and may in turn induce phase transitions from the nonpolar paraelectric to the polar ferroelectric phase. Using the uniaxial photo-ferroelectric Sn2P2S6 as an example, we show that visible light exposure induces the appearance and vanishing of striped, labyrinthine or curled domains and changes in the polarization switching hysteresis loop shape from paraelectric curves to double, pinched and single loops, as well as the shifting in the position of the tricritical point. Furthermore, we demonstrate that an ensemble of non-interacting photo-ferroelectric NPs may exhibit superparaelectric-like features at the tricritical point, such as strongly frequency-dependent giant piezoelectric and dielectric responses, which can potentially be exploited for piezoelectric applications.

cond-mat.mtrl-sci↗

arXiv2023

The strain-induced transitions of the piezoelectric, pyroelectric and electrocaloric properties of the CuInP$_2$S$_6$ films

The low-dimensional ferroelectrics, ferrielectrics and antiferroelectrics are of urgent scientific interest due to their unusual polar, piezoelectric, electrocaloric and pyroelectric properties. The strain engineering and strain control of the ferroelectric properties of layered 2D Van der Waals materials, such as CuInP$_2$(S,Se)$_6$ monolayers, thin films and nanoflakes, are of fundamental interest and especially promising for their advanced applications in nanoscale nonvolatile memories, energy conversion and storage, nano-coolers and sensors. Here, we study the polar, piezoelectric, electrocaloric and pyroelectric properties of thin strained films of a ferrielectric CuInP$_2$S$_6$ covered by semiconducting electrodes and reveal an unusually strong effect of a mismatch strain on these properties. In particular, the sign of the mismatch strain and its magnitude determine the complicated behavior of piezoelectric, electrocaloric and pyroelectric responses. The strain effect on these properties is opposite, i.e., "anomalous", in comparison with many other ferroelectric films, for which the out-of-plane remanent polarization, piezoelectric, electrocaloric and pyroelectric responses increase strongly for tensile strains and decrease or vanish for compressive strains.

cond-mat.mtrl-sci↗

arXiv2023

Bending-induced isostructural transitions in ultrathin layers of van der Waals ferrielectrics

Using Landau-Ginzburg-Devonshire (LGD) phenomenological approach we analyze the bending-induced re-distribution of electric polarization and field, elastic stresses and strains inside ultrathin layers of van der Waals ferrielectrics. We consider a CuInP2S6 (CIPS) thin layer with fixed edges and suspended central part, the bending of which is induced by external forces. The unique aspect of CIPS is the existence of two ferrielectric states, FI1 and FI2, corresponding to big and small polarization values, which arise due to the specific four-well potential of the eighth-order LGD functional. When the CIPS layer is flat, the single-domain FI1 state is stable in the central part of the layer, and the FI2 states are stable near the fixed edges. With an increase of the layer bending below the critical value, the sizes of the FI2 states near the fixed edges decreases, and the size of the FI1 region increases. When the bending exceeds the critical value, the edge FI2 states disappear being substituted by the FI1 state, but they appear abruptly near the inflection regions and expand as the bending increases. The bending-induced isostructural FI1-FI2 transition is specific for the bended van der Waals ferrielectrics described by the eighth (or higher) order LGD functional with consideration of linear and nonlinear electrostriction couplings. The isostructural transition, which is revealed in the vicinity of room temperature, can significantly reduce the coercive voltage of ferroelectric polarization reversal in CIPS nanoflakes, allowing for the curvature-engineering control of various flexible nanodevices.

cond-mat.mtrl-sci↗

arXiv2023

Anomalous Polarization Reversal in Strained Thin Films of CuInP$_2$S$_6$

Strain-induced transitions of polarization reversal in thin films of a ferrielectric CuInP$_2$S$_6$ (CIPS) with ideally-conductive electrodes is explored using the Landau-Ginzburg-Devonshire (LGD) approach with an eighth-order free energy expansion in polarization powers. Due to multiple potential wells, the height and position of which are temperature- and strain-dependent, the energy profiles of CIPS can flatten in the vicinity of the non-zero polarization states. This behavior differentiates these materials from classical ferroelectrics with the first or second order ferroelectric-paraelectric phase transition, for which potential energy profiles can be shallow or flat near the transition point only, corresponding to zero spontaneous polarization. Thereby we reveal an unusually strong effect of the mismatch strain on the out-of-plane polarization reversal, hysteresis loops shape, dielectric susceptibility, and piezoelectric response of CIPS films. In particular, by varying the sign of the mismatch strain and its magnitude in a narrow range, quasi-static hysteresis-less paraelectric curves can transform into double, triple, and other types of pinched and single hysteresis loops. The strain effect on the polarization reversal is opposite, i.e., "anomalous", in comparison with many other ferroelectric films in that the out-of-plane remanent polarization and coercive field increases strongly for tensile strains, meanwhile the polarization decreases or vanish for compressive strains. We explain the effect by "inverted" signs of linear and nonlinear electrostriction coupling coefficients of CIPS and their strong temperature dependence. For definite values of temperature and mismatch strain, the low-frequency hysteresis loops of polarization may exhibit negative slope in the relatively narrow range of external field amplitude and frequency.

cond-mat.mtrl-sci↗

arXiv2023

Stress-Induced Transformations of Polarization Switching in CuInP$_2$S$_6$ Nanoparticles

Using the Landau-Ginzburg-Devonshire approach, we study stress-induced transformations of polarization switching in ferrielectric CuInP2S6 nanoparticles for three different shapes: a disk, a sphere, and a needle. Semiconducting properties of a nanoparticle are modeled by a surface charge layer, whose effective screening length can be rather small due to the field-effect. We reveal a very strong and unusual influence of hydrostatic pressure on the appearance of polarization switching in CuInP2S6 nanoparticles, hysteresis loops shape, magnitude of the remanent polarization, and coercive fields, and explain the effects by the anomalous temperature dependence and "inverted" signs of CuInP2S6 linear and nonlinear electrostriction coupling coefficients. In particular, by varying the sign of the applied pressure (from tension to compression) and its magnitude (from zero to several hundreds of MPa), quasi-static hysteresis-less paraelectric curves can transform into double, triple, pinched, or single hysteresis loops. Due to the sufficiently wide temperature and pressure ranges of double, triple, and pinched hysteresis loop stability (at least in comparison with many other ferroelectrics), CuInP2S6 nanodisks can be of particular interest for applications in energy storage (in the region of double loops), CuInP2S6 nanospheres maybe suitable for dynamic random access multibit memory, and CuInP2S6 nanoneedles are promising for non-volatile multibit memory cells (in the regions of triple and pinched loops). The stress control of the polarization switching scenario allows the creation of advanced piezo-sensors based on CuInP2S6 nanocomposites.

physics.app-ph↗

arXiv2022

Screening-Induced Phase Transitions in Core-Shell Ferroic Nanoparticles

Using the Landau-Ginzburg-Devonshire approach, we study screening-induced phase transitions in core-shell ferroic nanoparticles for three different shapes: an oblate disk, a sphere, and a prolate needle. The nanoparticle is made of a ferroic CuInP2S6 core and covered by a "tunable" screening shell made of a phase-change material with a conductivity that varies as the material changes between semiconductor and metallic phases. We reveal a critical influence of the shell screening length on the phase transitions and spontaneous polarization of the nanoparticle core. Since the tunable screening shell allows the control of the polar state and phase diagrams of core-shell ferroic nanoparticles, the obtained results can be of particular interest for applications in nonvolatile memory cells.

cond-mat.mtrl-sci↗

arXiv2021

Stress-Induced Phase Transitions in Nanoscale CuInP$_2$S$_6$

Using Landau-Ginsburg-Devonshire approach and available experimental results we reconstruct the thermodynamic potential of the layered ferroelectric CuInP$_2$S$_6$ (CIPS), which is expected to be applicable a wide range of temperatures and applied pressures. The analysis of temperature dependences of the dielectric permittivity and lattice constants for different applied pressures unexpectedly reveals the critically important role of the nonlinear electrostriction in this material. With the nonlinear electrostriction included we calculated temperature and pressure phase diagrams and spontaneous polarization of bulk CIPS. Using the coefficients of the reconstructed four-well thermodynamic potential, we study the strain-induced phase transitions in thin epitaxial CIPS films, as well as the stress-induced phase transitions in CIPS nanoparticles, which shape varies from prolate needles to oblate disks. We reveal the strong influence of the mismatch strain, elastic stress and shape anisotropy on the polar properties and phase diagrams of nanoscale CIPS. Also, we derived analytical expressions, which allow the elastic control of the nanoscale CIPS polar properties. Hence obtained results can be of particular interest for the strain-engineering of nanoscale layered nanoferroelectrics.

cond-mat.mtrl-sci↗

arXiv2020

Phenomenological description of bright domain walls in ferroelectric-antiferroelectric layered chalcogenides

Recently, a layered ferroelectric CuInP2Se6 was shown to exhibit domain walls with locally enhanced piezoresponse - a striking departure from the observations of nominally zero piezoresponse in most ferroelectrics. Although it was proposed that such "bright" domain walls are phase-boundaries between ferri- and antiferroelectrically ordered regions of the materials, the physical mechanisms behind the existence and response of these boundaries remain to be understood. Here, using Landau-Ginzburg-Devonshire phenomenology combined with four sub-lattices model, we describe quantitatively the bright-contrast and dark-contrast domain boundaries between the antiferroelectric, ferroelectric or ferrielectric long-range ordered phases in a layered ferroelectric-antiferroelectric ferroics, such as CuInP2(S1-ySey)6

cond-mat.mtrl-sci↗

arXiv2019

Controlling the domain structure of ferroelectric nanoparticles using tunable shells

The possibility of controlling the domain structure in spherical nanoparticles of uniaxial and multiaxial ferroelectrics using a shell with tunable dielectric properties is studied in the framework of Landau-Ginzburg-Devonshire theory. Finite element modeling and analytical calculations are performed for Sn2P2S6 and BaTiO3 nanoparticles covered with high-k polymer, temperature dependent isotropic paraelectric strontium titanate, or anisotropic liquid crystal shells with a strongly temperature dependent dielectric permittivity tensor. It appeared that the tunable paraelectric shell with a temperature dependent high dielectric permittivity (~300 - 3000) provides much more efficient screening of the nanoparticle polarization than the polymer shell with a much smaller (~10) temperature-independent permittivity. The tunable dielectric anisotropy of the liquid crystal shell (~ 1 - 100) adds a new level of functionality for the control of ferroelectric domains morphology (including a single-domain state, domain stripes and cylinders, meandering and labyrinthine domains, and polarization flux-closure domains and vortexes) in comparison with isotropic paraelectric and polymer shells. The obtained results indicate the opportunities to control the domain structure morphology of ferroelectric nanoparticles covered with tunable shells, which can lead to the generation of new ferroelectric memory and advanced cryptographic materials.

cond-mat.mtrl-sci↗

arXiv2018

Analytical description of domain morphology and phase diagrams of ferroelectric nanoparticles

Analytical description of domain structure morphology and phase diagrams of ferroelectric nanoparticles is developed in the framework of Landau Ginzburg Devonshire approach. To model realistic conditions of incomplete screening of spontaneous polarization at the particle surface, it was considered covered by an ultra-thin layer of screening charge with finite screening length. The phase diagrams, calculated for spherical Sn2P2S6 nanoparticles in coordinates "temperature vs surface screening length" by finite element modeling, demonstrate the emergence of polydomain region at the tricritical point and its broadening with increasing the screening length for the particle radius over a critical value. Metastable and stable labyrinthine domain structures exist in Sn2P2S6 nanoparticles with radius 8 and 10 nm and more, similarly to the case of CuInP2S6 nanoparticles considered previously. We derived simple analytical expressions for the boundaries between paraelectric, single-domain and poly-domain ferroelectric phases, tricritical point and the necessary condition for the appearance of labyrinthine domains, and demonstrated their high accuracy in comparison with finite element modeling results. Analytical description shows that phase diagrams and domain morphologies, which are qualitatively similar to the ones calculated in this work, can be expected in other ferroelectric nanoparticles covered by the screening charges, being rather different for the ferroelectrics with the first and second order ferroelectric-paraelectric transitions respectively.

cond-mat.mtrl-sci↗