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.
A universal challenge facing the development of electrochemical materials is our lack of understanding of physical and chemical processes at local length scales in 10-100 nm regime, and acquiring this understanding requires a new generation of imaging techniques. In this article, we introduce the scanning thermo-ionic microscopy (STIM) for probing local electrochemistry at the nanoscale, using for imaging the Vegard strain induced via thermal stress excitations. Since ionic oscillation is driven by the stress instead of voltage, the responses are insensitive to the electromechanical, electrost…
We present an automatic measurement platform that enables the characterization of nanodevices by electrical transport and optical spectroscopy as a function of uniaxial stress. We provide insights into and detailed descriptions of the mechanical device, the substrate design and fabrication, and the instrument control software, which is provided under open-source license. The capability of the platform is demonstrated by characterizing the piezo-resistance of an InAs nanowire device using a combination of electrical transport and Raman spectroscopy. The advantages of this measurement platform a…
The interior of nanoscale crystals experiences stress that compensates the capillary forces and that can be large, in the order of 1 GPa. Various studies have speculated on whether and how this surface-induced stress affects the stability and plasticity of small crystals. Yet, experiments have so far failed to discriminate between the surface contribution and other, bulk-related size effects. In order to clarify the issue, we study the variation of the flow stress of a nanomaterial while distinctly different variations of the two capillary parameters surface tension and surface stress are impo…
Onset of vacuum arcing near a metal surface is often associated with nanoscale asperities, which may dynamically appear due to different processes ongoing in the surface and subsurface layers in the presence of high electric fields. Thermally activated processes, as well as plastic deformation caused by tensile stress due to an applied electric field, are usually not accessible by atomistic simulations because of long time needed for these processes to occur. On the other hand, finite element methods, able to describe the process of plastic deformations in materials at realistic stresses, do n…
In this work, the origin of the dielectric breakdown of 4H-SiC power MOSFETs was studied at the nanoscale, analyzing devices that failed after extremely long (three months) of high temperature reverse bias (HTRB) stress. A one-to-one correspondence between the location of the breakdown event and a threading dislocation propagating through the epitaxial layer was found. Scanning probe microscopy (SPM) revealed the conductive nature of the threading dislocation and a local modification of the minority carriers concentration. Basing on these results, the role of the threading dislocation on the f…
Pressure alters the physical, chemical and electronic properties of matter. The development of the diamond anvil cell (DAC) enables tabletop experiments to investigate a diverse landscape of high-pressure phenomena ranging from the properties of planetary interiors to transitions between quantum mechanical phases. In this work, we introduce and utilize a novel nanoscale sensing platform, which integrates nitrogen-vacancy (NV) color centers directly into the culet (tip) of diamond anvils. We demonstrate the versatility of this platform by performing diffraction-limited imaging (~600 nm) of both…
The non-reversing enthalpy near Tg, DHnr, in bulk GexAsxS1-2x glasses is found to display a global minimum (~0) in the 0.11 < x < 0.15 range, the reversibility window. Furthermore, the DHnr term is found to age for glass compositions both below (x < 0.11) and above (x > 0.15) the window but not in the window. Glass compositions in the window are rigid but stress-free, those below the window are floppy, and those above the window are stressed-rigid. Raman scattering shows floppy and stressed rigid networks to consist in part of monomers. The latter aspect of structure narrows the width of the r…
High strength 7xxx Al-alloys are currently commonly used in aerospace and are expected to be increasingly employed in the automotive sector for weight reduction purposes. These alloys can however be sensitive to stress-corrosion cracking (SCC) depending on temper and loading conditions. Both the alloy's grain structure and composition are believed to play a key role in determining sensitivity to SCC. Here, we study at the nanometer scale the evolution of the microstructure near stress corrosion cracks on two different model variants of the 7140 aluminum alloy. We performed double cantilever be…
Movement of edge (line) dislocations in FCC steel 310S is shown to depend on the size on nanoscale structures, based on modeling withing molecular dynamics (MD). The effect is attributed to time (and size) dependencies of pressure propagation into the medium interior. The observation is crucial in interpreting any MD studies of pressure effects since these are governed by time-dependent internal virial stresses. In particular velocity of dislocations scales well with value of local internal shear component of virial stress $S_{xy}$ and not with external shear pressure. Dynamics of stress penet…
The effect of surface stress on the stiffness of cantilever beams remains an outstanding problem in the physical sciences. While numerous experimental studies report significant stiffness change due to surface stress, theoretical predictions are unable to rigorously and quantitatively reconcile these observations. In this Letter, we present the first controlled measurements of stress-induced change in cantilever stiffness with commensurate theoretical quantification. Simultaneous measurements are also performed on equivalent clamped-clamped beams. All experimental results are quantitatively an…
Finescale probes of many complex electronic materials have revealed a non-uniform nanoworld of sign-varying textures in strain, charge and magnetization, forming meandering ribbons, stripe segments or droplets. We introduce and simulate a Ginzburg-Landau model for a structural transition, with strains coupling to charge and magnetization. Charge doping acts as a local stress that deforms surrounding unit cells without generating defects. This seemingly innocuous constraint of elastic `compatibility', in fact induces crucial anisotropic long-range forces of unit-cell discrete symmetry, that int…
Stress-Induced Ferroelectricity in Hafnium Oxide Core-Shell Nanoparticles
Institute of Physics of the National Academy of Sciences of Ukraine（乌克兰国家科学院物理研究所）；Frantsevich Institute for Problems in Materials Science of the National Academy of Sciences of Ukraine（乌克兰国家科学院弗拉特谢维奇材料科学问题研究所）；Department of Materials Science and Engineering, University of Tennessee, Knoxville（田纳西大学诺克斯维尔分校材料科学与工程系）；Zone 5 Technologies（第五区技术公司）
External magnetic field, temperature, and spin-polarized current are usually employed to create and control nanoscale vortex-like spin configurations such as magnetic skyrmions. Although these methods have proven successful, they are not energy-efficient due to high power consumption and dissipation. Coupling between magnetic properties and mechanical deformation, the magnetoelastic (MEL) effect, offers a novel approach to energy-efficient control of magnetism at the nanoscale. It is of great interest in the context of ever-decreasing length scales of electronic and spintronic devices. Therefo…
We use molecular simulations to explore how sample dimensions and interfacial properties impact some generic aspects of the mechanical and structural behavior of nanoconfined materials. Specifically, we calculate the strain-dependent properties of minimum-energy thin-film particle configurations (i.e., inherent structures) confined between attractive, parallel substrates. We examine how the relationship between the transverse strain and the stress tensor (the equation of state of the energy landscape) depends on the properties of the film and substrate. We find that both film thickness and fil…
We develop a theoretical framework to investigate the interplay between quantum size effect (QSE) and strain effect on the stability of metal nanofilms. The QSE and strain effect are shown to be coupled through the concept of "quantum electronic stress. First-principles calculations reveal large quantum oscillations in the surface stress of metal nanofilms as a function of film thickness. This adds extrinsically additional strain-coupled quantum oscillations to surface energy of strained metal nanofilms. Our theory enables a quantitative estimation of the amount of strain in experimental sampl…
We consider films and filaments of nanoscale thickness on thermally conductive substrates exposed to external heating. Particular focus is on metal films exposed to laser irradiation. Due to short length scales involved, the absorption of heat in the metal is directly coupled to the film evolution, since the absorption length and the film thickness are comparable. Such a setup requires self-consistent consideration of fluid mechanical and thermal effects. We approach the problem via Volume-of-Fluid based simulations that include destabilizing liquid metal-solid substrate interaction potentials…
Concepts for memories based on the manipulation of giant magnetostrictive nanomagnets by stress pulses have garnered recent attention due to their potential for ultra-low energy operation in the high storage density limit. Here we discuss the feasibility of making such memories in light of the fact that the Gilbert damping of such materials is typically quite high. We report the results of numerical simulations for several classes of toggle precessional and non-toggle dissipative magnetoelastic switching modes. Material candidates for each of the several classes are analyzed and forms for the …
The paper presents a new approach, based on controlled oxidation of nanoscale metallic multilayers, to produce strong and hard oxide/metal nanocomposite coatings with high strength and good thermal stability. The approach is demonstrated by performing long term annealing on sputtered Zr/Nb nanoscale metallic multilayers and investigating the evolution of their microstructure and mechanical properties by combining analytical transmission electron microscopy, nano-mechanical tests and finite element models. As-deposited multilayers were annealed at 350 C in air for times ranging between 1 - 336 …
Stimulus-responsive shape memory materials have attracted tremendous research interests recently, with much effort focused on improving their mechanical actuation. Driven by the needs of nanoelectromechnical devices, materials with large mechanical strain particularly at nanoscale are therefore desired. Here we report on the discovery of a large shape memory effect in BiFeO3 at the nanoscale. A maximum strain of up to ~14% and a large volumetric work density can be achieved in association with a martensitic-like phase transformation. With a single step, control of the phase transformation by t…
Controlled plastic forming of nanoscale metallic objects by applying mechanical load is a challenge, since defect-free nanocrystals usually yield at near theoretical shear strength, followed by an uncontrolled catastrophic failure. Herein, instead of mechanical load, we utilize chemical stress from imbalanced interdiffusion to manipulate the shape of nanowhiskers. Bimetallic Au-Fe nanowhiskers with an ultra-high bending strength were synthesized employing the molecular beam epitaxy technique. The one-sided Fe coating on the defect-free, single-crystalline Au nanowhisker exhibited both single- …
The determination of the electromechanical properties of materials for a parallel-plate capacitor structure is affected by the electrostatic force between their electrodes. The corrections induced by this electric-field-induced stress are usually assumed to be linked to the quadratic dependence of the strain on the electric field (electrostriction). Here we show by calculations based on thermodynamic grounds for this simple structure that the effect of the electrostatic force on piezoelectric materials can lead to both quadratic and linear corrections through the combination of the piezoelectr…
An original thermodynamically consistent large strains-based multiphase phase-field (PF) approach of Ginzburg-Landau type is developed for studying the grain boundary (GB)-induced martensitic transformations (MTs) in polycrystalline materials at the nanoscale considering the structural stresses within the interfaces. In this general PF approach, N independent order parameters are used for describing the austenite (A)<->martensite (M) transformations and N(>1) martensitic variants, and another M independent order parameters are considered for describing M(>1) grains in the polycrystalline sampl…
We observe using low-energy electron microscopy the self-assembly of monolayer-thick stripes of Au on W(110) near the transition temperature between stripes and the non-patterned (homogeneous) phase. We demonstrate that the amplitude of this Au stripe phase decreases with increasing temperature and vanishes at the order-disorder transition (ODT). The wavelength varies much more slowly with temperature and coverage than theories of stress-domain patterns with sharp phase boundaries would predict, and maintains a finite value of about 100 nm at the ODT. We argue that such nanometer-scale stripes…
Shape memory (SM) ceramics, such as yttria-stabilized tetragonal zirconia (YSTZ), are a unique family of SM materials that offer unique properties including ultra-high operating temperature, and high resistance to chemical corrosion and oxidation. However, formation of defects is usually observed in SM ceramics during manufacturing and/or by mechanical deformation. To fully take advantage of the SM properties of these ceramics, it is necessary to fully understand the nano-structural evolution of defects under external stimuli. In this study, defect closure behaviors in YSTZ nanopillars are inv…
We report here sign reversal and tunability of exchange bias in AuFe cosputtered films of thickness about 63 nm. As deposited film exhibits exchange bias effect at room temperature without external triggering field and its magnitude increases gradually with decrease in temperature down to 5 K. Upon irradiation with 100 MeV Au9+ ions at a fluence of 5*1013 ions/cm2, hysteresis loop shifts completely from origin towards positive field side at room temperature and reverses sign when temperature is reduced to 5 K as studied by SQUID magnetometry. A well defined uniaxial magnetic anisotropy has bee…
Using nanoprobe X-ray diffraction microscopy, we investigate the relationship between residual strains from crystal growth in CsPbBr$_3$ thin film crystals, their stability, and local bandgap. We find that out-of-plane compressive strain that arises from cooldown from crystallization is detrimental to material stability under X-ray irradiation. We also find that the optical photoluminescence red shifts as a result of the out-of-plane compressive strain. The sensitivity of bandgap to strain suggests possible applications such as stress-sensitive sensors. Mosaicity, the formation of small misori…
Ferroelectrics form domain patterns that minimize their energy subject to imposed boundary conditions. In a linear, constrained theory, that neglects domain wall energy, periodic domain patterns in the form of multi-rank laminates can be identified as minimum-energy states. However, when these laminates (formed in a macroscopic crystal) comprise domains that are a few nanometers in size, the domain-wall energy becomes significant, and the behaviour of laminate patterns at this scale is not known. Here, a phase-field model, which accounts for gradient energy and strain energy contributions, is …
Strain and composition play a fundamental role in semiconductor physics, since they are means to tune the electronic and optical properties of a material and hence develop new devices. Today it is still a challenge to measure strain in epitaxial systems in a non-destructive manner which becomes especially important in strain-engineered devices that often are subjected to intense stress. In this work, we demonstrate a microscopic mapping of the full tensors of strain and lattice orientation by means of scanning X-ray diffraction microscopy. We develope a formalism to extract all components of s…
Ion beam plays a pivotal role in ion implantations and the fabrication of nanostructures. However, there lacks a quantitative model to describe the residual stresses associated with the ion-beam radiation. Radiation-induced residual stress/transformation strain have been mostly recognized in the hydrostatic sub strain space. Here, we use molecular dynamics (MD) simulations to show that the response of a material to irradiation is generally anisotropic that depends on the ion-beam direction, and should be described using tensorial quantities. We demonstrate that accelerator-based ion beam irrad…
Cracks in clay are significant in geotechnical and geoenvironmental engineering (e.g., embankment erosion and stability of landfill cover systems). This article studies the mechanism of nucleation and growth of cracks in clay at the nanoscale through full-scale molecular dynamics simulations. The clay adopted is pyrophyllite, and the force field is CLAYFF. The crack formation in a pyrophyllite clay layer is evaluated under uniaxial tension and simple shear. The numerical results show that cracks in the nanoscale pyrophyllite clay layer are brittle and strain-rate dependent. Small strain rate r…
A methodology is presented here for deriving true experimental axial stress-strain curves in both tension and compression for monolayer graphene through the shift of the 2D Raman peak that is present in all graphitic materials. The principle behind this approach is the observation that the shift of the 2D wavenumber as a function of strain for different types of PAN based fibres is a linear function of their Young's moduli and, hence, the corresponding value of the shift of the 2D Raman peak over axial stress is, in fact, a constant. By moving across the length scales we show that this value i…
The origin of dielectric breakdown was studied on 4H-SiC MOSFETs that failed after three months of high temperature reverse bias (HTRB) stress. A local inspection of the failed devices demonstrated the presence of a threading dislocation (TD) at the breakdown location. The nanoscale origin of the dielectric breakdown was highlighted with advanced high-spatial-resolution scanning probe microscopy (SPM) techniques. In particular, SPM revealed the conductive nature of the TD and a local increase of the minority carrier concentration close to the defect. Numerical simulations estimated a hole conc…
Cubic silicon carbide is an excellent platform for integration of defect qubits into established wafer scale device architectures for quantum information and sensing applications, where divacancy qubit, that is similar to the negatively charged nitrogen-vacancy (NV) center in diamond, has favorable coherence properties. We demonstrate by means of density functional theory calculations that divacancy in 3C SiC has superior spin-stress coupling parameters and stress sensitivity for nanoscale, quantum enhanced photonic, optoelectronic and optomechanical devices.
The precise measurement of mechanical stress at the nanoscale is of fundamental and technological importance. In principle, all six independent variables of the stress tensor, which describe the direction and magnitude of compression/tension and shear stress in a solid, can be exploited to tune or enhance the properties of materials and devices. However, existing techniques to probe the local stress are generally incapable of measuring the entire stress tensor. Here, we make use of an ensemble of atomic-sized in-situ strain sensors in diamond (nitrogen-vacancy defects) to achieve spatial mappi…
We measure the transient strain profile in a nanoscale multilayer system composed of Yttrium, Holmium and Niobium after laser excitation using ultrafast X-ray diffraction. The strain propagation through each layer is determined by transient changes of the material-specific Bragg angles. We experimentally derive the exponentially decreasing stress profile driving the strain wave and show that it closely matches the optical penetration depth. Below the Neel temperature of Ho, the optical excitation triggers negative thermal expansion, which is induced by a quasi-instantaneous contractive stress,…
In search for the origins of the extraordinary low twinning stress of Ni-Mn-Ga magnetic shape memory alloys we studied the thermally induced changes of structure in Ni$_{50}$Mn$_{25+x}$Ga$_{25-x}$ ($x$=2.7--3.9) single crystal samples and compared them with twinning stress dependences. The alloys exhibited transformation to five-layered (10M) martensite structure between 297 to 328 K. All samples exhibited magnetic shape memory effect. Just below the transformation temperature the samples had very low twinning stress of about 0.1--0.3 MPa, which increased with decreasing temperature. The struc…
Direct imaging and quantification of actuation in nanostructures that undergo structural phase transitions could advance our understanding of collective phenomena in the solid state. Here, we demonstrate visualization of structural phase transition induced actuation in a model correlated insulator vanadium dioxide by in-situ Fresnel contrast imaging of electron transparent cantilevers. We quantify abrupt, reversible cantilever motion occurring due to the stress relaxation across the structural transition from monoclinic to tetragonal phase with increasing temperature. Deflections measured in s…
Titanium-based shape memory alloys, such as Ti2448, have attracted enormous attention owing to their unique thermomechanical properties and potential biomedical applications. In this study, we develop a polycrystalline phase field to investigate the grain size dependence of the martensitic transformation and associated mechanical properties of nanograined Ti-Nb alloys. It is shown that a reduction of the average grain size strengthens the suppression of the martensitic transformation (MT), leading to an increase of the transformation stress, shrinkage of the stress hysteresis, and elimination …
Ferroelectric vortices formed through complex lattice-charge interactions have great potential in applications for future nanoelectronics such as memories. For practical applications, it is crucial to manipulate these topological states under external stimuli. Here, we apply mechanical loads to locally manipulate the vortices in a PbTiO3-SrTiO3 superlattice via atomically resolved in situ scanning transmission electron microscopy. The vortices undergo a transition to the a-domain with in-plane polarization under external compressive stress and spontaneously recover after removal of the stress.…
Stress and strain are important factors in determining the mechanical, electronic, and optical properties of materials, relating to each other by the material's elasticity or stiffness. Both are represented by second rank field tensors with, in general, six independent components. Measurements of these quantities are usually achieved by measuring a property that depends on the translational symmetry and periodicity of the crystal lattice, such as optical phonon energies using Raman spectroscopy, the electronic band gap using cathodoluminescence, photoelasticity via the optical birefringence, o…
The mechanisms of solid-state electron transport (ETp) via a monolayer of immobilized Azurin (Az) was examined by conducting probe atomic force microscopy (CP-AFM), both as function of temperature (248 - 373K) and of applied tip force (6-12 nN). By varying both temperature and force in CP-AFM, we find that the ETp mechanism can alter with a change in the force applied via the tip to the proteins. As the applied force increases, ETp via Az changes from temperature-independent to thermally activated at high temperatures. This is in contrast to the Cu-depleted form of Az (apo-Az), where increasin…
The discovery of ferroelectricity in both pure and doped HfO$_2$-based thin films have revitalized the interest in using ferroelectrics for nanoscale device applications. To take advantage of this silicon-compatible ferroelectric, fundamental questions such as the origin of ferroelectricity and better approach to controlled realization of ferroelectricity at the nanoscale need to be addressed. The emergence of robust polarization in HfO$_2$-based thin films is considered as the cumulative effect of various extrinsic factors such as finite-size effects and surface/interface effects of small gra…
A centrosymmetric stress cannot induce a polar response in centric materials, piezoelectricity is, for example, possible only in non-centrosymmetric structures. An exception is meta-materials with shape asymmetry, which may be polarized by stress even when the material is centric. In this case the mechanism is flexoelectricity, which relates polarization to a strain gradient. The flexoelectric response scales inversely with size, thus a large effect is expected in nanoscale materials. Recent experiments in polycrystalline, centrosymmetric perovskites [e.g., (Ba,Sr)TiO3] have indicated values o…
We report a strong size dependence of coercivity in amorphous ferrimagnetic TbFeCo films. The as-deposited film exhibited a low saturation magnetization (Ms=100 emu/cc) and a high perpendicular anisotropy (Ku=10^6 erg/cc). Hall-bar devices were fabricated for characterizing the magneto-transport behaviors. A significant increase in coercivity (up to 300 %) was observed at room temperature as the width of Hall bar was reduced. The large coercivity enhancement was attributed to the relaxation of film stress. The effect of strain and dimensionality on the coercivity in TbFeCo makes it attractive …
Phase separated perovskite manganites have competing phases with different crystal structures, magnetic and electronic properties. Hence, strain effects play a critical role in determining the magnetic properties of manganite thin films. Here we report the effect of anisotropic stress on the magnetic properties of the phase separated manganite (La$_{0.4}$Pr$_{0.6}$)$_{0.67}$Ca$_{0.33}$MnO$_{3}$. Thin films of (La$_{0.4}$Pr$_{0.6}$)$_{0.67}$Ca$_{0.33}$MnO$_{3}$ grown under anisotropic in-plane stress on (110) NdGaO$_{3}$ substrates display in-plane mangetic anisotropy and single domain to multi…
