arXiv subjects

Sergei V. Kalinin

Publications and source records attributed to Sergei V. Kalinin.

At least 253 records · Page 14Linked to original sources

arXiv2016

Missed surface waves in non-piezoelectric solids

The physical processes taking place at the surface and near the surface of solids is so rich and versatile that sometimes they seem to be the inexhaustible subject of fundamental research. In particular, since the discovery by Lord Rayleigh surface waves in solids focus increased attention of scientists, because their experimental and theoretical studies can serve as the source of unique information about the surface impact on the dynamics and structure of the atomic lattice, structural instabilities and phase transitions induced by the surface, and explore the properties of phonons in spatially-confined systems The existence of purely shear surface wave is impossible in non-piezoelectrics within the framework of the classical theory of elasticity, because the Rayleigh surface waves have different polarization and are the mixture of shear and dilatational waves. We showed that the "forbidden" shear surface wave (shortly Flexo-SW) can propagate near the surface of all crystalline dielectrics due to the omnipresent flexoelectric coupling. The appearance and penetration depth of the Flexo-SW is ruled by the flexocoupling strength. In particular the penetration depth of transverse acoustic mode diverges in the absence of the flexoelectric coupling and so these waves become indistinguishable from the bulk waves. For paraelectrics such as strontium titanate with typical flexoeletric coefficients (~2V) the penetration depth of the Flexo-SW can reach more than tens microns at THz frequencies. The circumstances can explain the absence of experimental observations of the missed surface waves in thick layers and bulk materials. However we predict that the peaks of neutron intensity corresponding to the surface Flexo-SW and bulk phonon modes can be separated in non-piezoelectric thin films of thickness ~(20 - 50)nm.

cond-mat.mtrl-sci↗

arXiv2016

Surface Screening Mechanisms in Ferroelectric Thin Films and its Effect on Polarization Dynamics and Domain Structures

For over 70 years, ferroelectric materials have been remaining one of the central research topics for condensed matter physics and material science, the interest driven both by fundamental science and applications. However, ferroelectric surfaces, the key component of ferroelectric films and nanostructures, still present a significant theoretical and even conceptual challenge. Indeed, stability of ferroelectric phase per se necessitates screening of polarization charge. At surfaces, this can lead to coupling between ferroelectric and semiconducting properties of material, or with surface (electro) chemistry, going well beyond classical models applicable for ferroelectric interfaces. In this review, we summarize recent studies of surface screening phenomena in ferroelectrics. We provide a brief overview of the historical understanding of physics of ferroelectric surfaces, and existing theoretical models that both introduce screening mechanisms and explore the relationship between screening and relevant aspects of ferroelectric functionalities starting from phase stability itself. Given that majority of ferroelectrics exist in multiple-domain states, we focus on local studies of screening phenomena using scanning probe microscopy techniques. We discuss recent studies of static and dynamic phenomena on ferroelectric surfaces, as well as phenomena observed under lateral transport, light, chemical, and pressure stimuli. We also note that the need for ionic screening renders polarization switching a coupled physical-electrochemical process, and discuss the non-trivial phenomena such as chaotic behavior during domain switching that stem from this.

cond-mat.mtrl-sci↗

arXiv2016

Quantification of Probe-Sample Electrostatic Forces with Dynamic Atomic Force Microscopy

Atomic Force Microscopy (AFM) methods utilizing resonant mechanical vibrations of cantilevers in contact with a sample surface have shown sensitivities as high as few picometers for detecting surface displacements. Such a high sensitivity is harnessed in several AFM imaging modes. Here, we demonstrate a cantilever-resonance-based method to quantify electrostatic forces on a probe arising in the presence of a surface potential or when a bias voltage is applied to the AFM probe. We find that the electrostatic forces acting on the probe tip apex can strongly dominate cantilever response in electromechanical measurements and produce signals equivalent to few pm of surface displacement. In combination with modeling, the measurements of the force were used to determine the strength of the electrical field at the probe tip apex in contact with a sample. We find an evidence that the electric field strength in the junctions is limited by about 0.5 V/nm. This field can be sufficiently strong to significantly influence material states and kinetic processes through charge injection, Maxwell stress, shifts of phase equilibria, and reduction of energy barriers for activated processes. Besides, the results provide a baseline for accounting for the effects of local electrostatic forces in electromechanical AFM measurements as well as offer additional means to probe ionic mobility and field-induced phenomena in solids.

cond-mat.mes-hall↗

arXiv2016

Phase-field modeling of chemical control of polarization stability and switching dynamics in ferroelectric thin film

Phase-field simulation (PFS) have revolutionized the understanding of domain structure and switching behavior in ferroelectric thin films and ceramics. Generally, PFS is based on solution of a (set) of Ginzburg-Landau equations for a defined order parameter field(s) under physical boundary conditions (BCs) of fixed potential or charge. While well-matched to the interfaces in bulk materials and devices, these BCs are generally not applicable to free ferroelectric surfaces. Here, we developed a self-consistent phase-field model with boundary conditions based on electrochemical equilibria. We chose Pb(Zr0.2Ti0.8)O3 ultrathin film consisting of (001) oriented single tetragonal domain (Pz) as a model system, and systematically studied the effects of oxygen partial pressure, temperature and surface ion on the ferroelectric state, and compared it with the case of complete screening. We have further explored the polarization switching induced by the oxygen partial pressure and observed pronounced size effect induced by chemical screening. Our work thus helps to understand the emergent phenomena in ferroelectric thin films brought about by the electrochemical ionic surface compensations.

cond-mat.mtrl-sci↗

arXiv2016

Enhancing interfacial magnetization with a ferroelectric

Ferroelectric control of interfacial magnetism has attracted much attention. However, the coupling of these two functionalities has not been understood well at the atomic scale. The lack of scientific progress is mainly due to the limited characterization methods by which the interface's magnetic properties can be probed at an atomic level. Here, we use polarized neutron reflectometry (PNR) to probe the evolution of the magnetic moment at interfaces in ferroelectric/strongly correlated oxide [PbZr0.2Ti0.8O3/La0.8Sr0.2MnO3 (PZT/LSMO)] heterostructures. We find that there is always suppressed magnetization at the surface and interface of LSMO and such magnetic deterioration can be strongly improved by interfacing with a strongly polar PZT film. The magnetoelectric coupling of magnetism and ferroelectric polarization occurs within a couple of nanometers of the interface as demonstrated by the enhanced interfacial magnetization beyond the bulk value by 5% depending on the polarization of PZT. The latter value is 70% higher than the surface magnetization of a LSMO film without interfacing with a ferroelectric layer. These compelling results not only probe the presence of nanoscale magnetic suppression and its control by ferroelectrics, but also emphasize the importance of utilizing probing techniques that can distinguish between bulk and interfacial phenomena.

cond-mat.str-el↗

arXiv2016

Flexocoupling impact on the size effects of piezo- response and conductance in mixed-type ferroelectrics-semiconductors under applied pressure

Flexocoupling impact on the size effects of the spontaneous polarization, effective piezo-response, elastic strain and compliance, carrier concentration and piezo-conductance have been calculated in thin films of ferroelectric semiconductors with mixed-type conductivity under applied pressure. Analysis of the self-consistent calculation results revealed that the thickness dependences of aforementioned physical quantities, calculated at zero and nonzero flexoelectric couplings, are very similar under zero applied pressure, but become strongly different under the application of external pressure pext. At that the differences become noticeably stronger for the film surface under compression than under tension. The impact of the Vegard mechanism on the size effects is weaker in comparison with flexocoupling except for the thickness dependence of the piezo-conductance. Without flexoelectric coupling the studied physical quantities manifest conventional peculiarities that are characteristic of the size-induced phase transitions. Namely, when the film thickness h approaches the critical thickness hcr the transition to paraelectric phase occurs. The combined effect of flexoelectric coupling and external pressure induces polarizations at the film surfaces, which cause the electric built-in field that destroys the thickness-induced phase transition to paraelectric phase at h= hcr and induces the electret-like state with irreversible spontaneous polarization at h<hcr. The built-in field leads to noticeable increase of the average strain and elastic compliance under the film thickness decrease below hcr that scales as 1/h at small thicknesses h. The changes of the electron concentration by several orders of magnitude under positive or negative pressures can lead to the occurrence of high- or low-conductivity states, i.e. the nonvolatile piezo-resistive switching.

cond-mat.mtrl-sci↗

arXiv2016

Quantification of surface displacements and electromechanical phenomena via dynamic atomic force microscopy

Detection of dynamic surface displacements associated with local changes in material strain provides access to a number of phenomena and material properties. Contact resonance-enhanced methods of Atomic Force Microscopy (AFM) have been shown capable of detecting ~1-3 pm-level surface displacements, an approach used in techniques such as piezoresponse force microscopy, atomic force acoustic microscopy, and ultrasonic force microscopy. Here, based on an analytical model of AFM cantilever vibrations, we demonstrate a guideline to quantify surface displacements with a high accuracy by taking into account the cantilever shape at the first resonant contact mode depending on the tip-sample contact stiffness. The approach has been experimentally verified and further developed for the piezoresponse force microscopy (PFM) using well-defined ferroelectric materials. These results open up a way to accurate and precise measurements of the surface displacement as well as piezoelectric constants at the pm-scale with nanometer spatial resolution and will allow avoiding erroneous data interpretations and measurement artefacts. This analysis is directly applicable to all cantilever-resonance-based SPM techniques.

cond-mat.mtrl-sci↗

arXiv2015

Self-consistent theory of nanodomain formation on non-polar surfaces of ferroelectrics

We propose a self-consistent theoretical approach capable to describe the peculiarities of the anisotropic nanodomain formation induced by a charged AFM probe on non-polar cuts of ferroelectrics. The proposed semi-phenomenological approach accounts for the difference of the threshold fields required for the domain wall motion along non-polar X- and Y - cuts, and polar Z - cut of LiNbO3. The effect steams from the fact, that the minimal distance between the equilibrium atomic positions of domain wall and the profile of lattice pinning barrier appeared different for different directions due to the crystallographic anisotropy. Using relaxation-type equation with cubic nonlinearity we calculated the polarization reversal dynamics during the probe-induced nanodomain formation for different threshold field values. The different velocity of domain growth and consequently equilibrium domain sizes on X-, Y- and Z-cuts of LiNbO3 originate from the anisotropy of the threshold field. Note that the smaller is the threshold field the larger are the domain sizes, and the fact allows explaining several times difference in nanodomain length experimentally observed on X- and Y-cuts of LiNbO3. Obtained results can give insight into the nanoscale anisotropic dynamics of polarization reversal in strongly inhomogeneous electric field.

cond-mat.mtrl-sci↗

arXiv2015

Flexocoupling impact on the generalized susceptibility and soft phonon modes in the ordered phase of ferroics

Flexoelectric effect impact on the generalized susceptibility and soft phonons dispersion was not studied in the long-range ordered phases of ferroics. The gap in the knowledge motivated us to establish the impact of the flexocoupling on the correlation function of the long-range order parameter fluctuations in ferroelectric phase of ferroics with local disordering sources. Within Landau-Ginzburg-Devonshire approach we obtained analytical expressions for the generalized susceptibility and phonon dispersion relations in the ferroelectric phase. Unexpectedly, the joint action of static and dynamic flexoelectric effect induces non-diagonal components of generalized susceptibility, which amplitude is proportional to the convolution of the spontaneous polarization with flexocoupling constants. The flexocoupling essentially broaden the k-spectrum of generalized susceptibility and so decreases the correlation radii, as well as leads to the additional "pushing away" of the optical and acoustic soft mode phonon branches. The contribution of spontaneous polarization via ferroelectric nonlinearity and electrostriction mechanisms can lead to both broadening and narrowing on the susceptibility k-spectrum. Due to the joint action of flexoelectric coupling and spontaneous polarization the degeneration of the transverse optic and acoustic modes disappears in the soft phonon spectrum in a ferroelectric phase in comparison with the spectra in a paraelectric phase. These effects have been studied quantitatively for ferroelectric lead zirconate titanate using realistic values of static and dynamic flexocouplings and cubic symmetry approximation for the elastic properties. Also we derived general expressions for correlation function for arbitrary symmetry, elastic and electrostrictive anisotropy.

cond-mat.mtrl-sci↗

arXiv2015

On the role of chalcogen vapor annealing in inducing bulk superconductivity in Fe$_{1+y}$Te$_{1-x}$Se$_{x}$

Recent investigations have shown that Fe$_{1+y}$Te$_{1-x}$Se$_{x}$ can be made superconducting by annealing it in Se and O vapors. The current lore is that these chalcogen vapors induce superconductivity by removing the magnetic excess Fe atoms. To investigate this phenomenon we performed a combination of magnetic susceptibility, specific heat and transport measurements together with scanning tunneling microscopy and spectroscopy and density functional theory calculations on Fe$_{1+y}$Te$_{1-x}$Se$_{x}$ treated with Te vapor. We conclude that the main role of the Te vapor is to quench the magnetic moments of the excess Fe atoms by forming FeTe$_{m}$ (m $\geq$ 1) complexes. We show that the remaining FeTe$_{m}$ complexes are still damaging to the superconductivity and therefore that their removal potentially could further improve superconductive properties in these compounds.

cond-mat.supr-con↗

arXiv2015

What makes us a community: structure, correlations, and success in scientific world

We explore the statistical structure of scientific community based on multivariate analysis of publication (or other identifiable metrics) distribution in the author space. Here, we define community based on keywords, i.e. projecting semantic content of the documents on predefined meanings; however, more complex approaches based on semantic clustering of publications are possible. Remarkably, this simple statistical analysis of publication metadata allows understanding of internal interactions with community in general agreement with experience acquired over decades of social interaction within it. We further discuss potential applications of this approach for ranking within the community, reviewer selection, and optimization of community output.

physics.soc-ph↗

arXiv2015

Finite size effects in ferroelectric-semiconductor thin films under open-circuited electric boundary conditions

General features of finite size effects in the ferroelectric-semiconductor film under open-circuited electric boundary conditions are analyzed using Landau-Ginzburg-Devonshire theory and continuum media electrostatics. The temperature dependence of the film critical thickness, spontaneous polarization and depolarization field profiles of the open-circuited films are found to be significantly different compared to the short-circuited ones. In particular, we predict the re-entrant type transition boundary between the mono-domain and poly-domain ferroelectric states due to reduced internal screening efficiency and analyzed possible experimental scenarios created by this mechanism. This analysis is relevant to the behavior of the free-standing ferroelectric films and scanning-probe microscopy based experiments on free ferroelectric surfaces.

cond-mat.mtrl-sci↗

arXiv2014

Electrostrictive and electrostatic responses in contact mode voltage modulated Scanning Probe Microscopies

Electromechanical response of solids underpins image formation mechanism of several scanning probe microscopy techniques including the piezoresponse force microscopy (PFM) and electrochemical strain microscopy (ESM). While the theory of linear piezoelectric and ionic responses are well developed, the contributions of quadratic effects including electrostriction and capacitive tip-surface forces to measured signal remain poorly understood. Here we analyze the electrostrictive and capacitive contributions to the PFM and ESM signals and discuss the implications of the dielectric tip-surface gap on these interactions.

cond-mat.mtrl-sci↗

arXiv2014

Humidity effects on tip-induced polarization switching in lithium niobate

Interest to ferroelectric materials has been increased significantly in last decades due to development of new generation of nonlinear optical and data storage devices. Scanning probe microscopy (SPM) can be used both for study of domain structures with nanoscale spatial resolution and for writing the isolated nanodomains by local application of the electric field. Tip-induced switching in the ambient still needs experimental investigations and theoretical explorations. Here we studied influence of the value of relative humidity in the SPM chamber on the process of tip-induced polarization switching. This phenomenon was attributed to existing of the water meniscus between tip and the sample surface in humid atmosphere. Presented results are important for further complex investigations of the ferroelectric materials and their applications.

cond-mat.mtrl-sci↗

arXiv2013

Space charge dynamics in solid electrolytes with steric effect and Vegard stresses: resistive switching and ferroelectric-like hysteresis of electromechanical response

We performed self-consistent modelling of electrotransport and electromechanical response of solid electrolyte thin films allowing for steric effects of mobile charged defects (ions, protons or vacancies), electron degeneration and Vegard stresses. We establish correlations between the features of the space-charge dynamics, current-voltage and bending-voltage curves in the wide frequency range of applied electric voltage. The pronounced ferroelectric-like hysteresis of bending-voltage loops and current maxima on double hysteresis current-voltage loops appear for the electron-open electrodes. The double hysteresis loop with pronounced humps indicates the resistance switching of memristor-type. The switching occurs due to the strong coupling between electronic and ionic subsystem. The sharp meta-stable maximum of the electron density appears near one open electrode and moves to another one during the periodic change of applied voltage. Our results can explain the nature and correlation of electrical and mechanical memory effects in thin films of solid electrolytes. The analytical expression proving that the electrically induced bending of solid electrolyte films can be detected by interferometric methods is derived.

cond-mat.mtrl-sci↗

arXiv2013

Ferroelectric domain triggers the charge modulation in semiconductors

We consider a typical heterostructure domain patterned ferroelectric film/ultra thin dielectric layer/ semiconductor, where the semiconductor can be an electrolyte, paraelectric or multi layered graphene. Unexpectedly we have found that the space charge modulation profile and amplitude in the semiconductor, that screens the spontaneous polarization of a 180-degree domain structure of ferroelectric, depends on the domain structure period, dielectric layer thickness and semiconductor screening radius in a rather non-trivial nonlinear way. Multiple size effects appearance and manifestation are defined by the relationship between these three parameters. In addition, we show that the concept of effective gap can be introduced in a simple way only for a single domain limit. Obtained analytical results open the way for understanding of current AFM maps of contaminated ferroelectric surfaces in ambient atmosphere as well as explore the possibilities of conductivity control in ultra-thin semiconductor layers.

cond-mat.mtrl-sci↗

arXiv2013

Tunneling Electroresistance Induced by Interfacial Phase Transitions in Ultrathin Oxide Heterostructures

The ferroelectric (FE) control of electronic transport is one of the emerging technologies in oxide heterostructures. Many previous studies in FE tunnel junctions (FTJs) exploited solely the differences in the electrostatic potential across the FTJs that are induced by changes in the FE polarization direction. Here, we show that in practice the junction current ratios between the two polarization states can be further enhanced by the electrostatic modification in the correlated electron oxide electrodes, and that FTJs with nanometer thin layers can effectively produce a considerably large electroresistance ratio at room temperature. To understand these surprising results, we employed an additional control parameter, which is related to the crossing of electronic and magnetic phase boundaries of the correlated electron oxide. The FE-induced phase modulation at the heterointerface ultimately results in an enhanced electroresistance effect. Our study highlights that the strong coupling between degrees of freedom across heterointerfaces could yield versatile and novel applications in oxide electronics.

cond-mat.mtrl-sci↗

arXiv2013

Defect thermodynamics and kinetics in thin strained ferroelectric films: the interplay of possible mechanisms

We present a theoretical description of the influence of misfit strain on mobile defects dynamics in thin strained ferroelectric films. Self-consistent solutions obtained by coupling the Poissons equation for electric potential with continuity equations for mobile donor and electron concentrations and time-dependent Landau-Ginzburg-Devonshire equations reveal that the Vegard mechanism (chemical pressure) leads to the redistribution of both charged and electro-neutral defects in order to decrease the effective stress in the film. Internal electric fields, both built-in and depolarization ones, lead to a strong accumulation of screening space charges (charged defects and electrons) near the film interfaces. Importantly, the corresponding screening length is governed by the misfit strain and Vegard coefficient. Mobile defects dynamics, kinetics of polarization and electric current reversal are defined by the complex interplay between the donor, electron and phonon relaxation times, misfit strain, finite size effect and Vegard stresses.

cond-mat.mtrl-sci↗