Related papers: A morphotropic phase boundary system based on pola…
We suggest a random field based model for calculation of physical properties of mixed ferroelectric relaxors. Our model naturally incorporates the different orientations of electric dipoles (related to different solid solution components)…
The structure and properties of the ferromagnet Tb_{1-x}Dy_xFe_2 (Terfenol-D) are explored through the morphotropic phase boundary (MPB) separating ferroic phases of differing symmetry. Our synchrotron data support a first order structural…
A non-isothermal phase field model that captures both displacive and diffusive phase transformations in a unified framework is presented. The model is developed in a formal thermodynamic setting, which provides guidance on admissible…
When subjected to electro-mechanical loading, ferroelectrics see their polarization evolve through the nucleation and evolution of domains. Existing mesoscale phase-field models for ferroelectrics are typically based on a gradient-descent…
We have constructed the surface phase diagram of the BaTiO$_{3}$(001) surface by employing an evolutionary algorithm for surface structure prediction, where the ferroelectric polarization is included as a degree of freedom. Among over 1000…
A diffuse-interface model for microstructure with an arbitrary number of components and phases was developed from basic thermodynamic and kinetic principles and formalized within a variational framework. The model includes a composition…
Freestanding ferroelectric oxide membranes emerge as a promising platform for exploring the interplay between topological polar ordering and dipolar interactions that are continuously tunable by strain. Our investigations combining density…
Understanding the phase behavior of mixed-cation halide perovskites is critical for optimizing their structural stability and optoelectronic performance. Here, we map the phase diagram of MA$_{1-x}$FA$_x$PbI$_3$ using a machine-learned…
A modified model of metal-semiconductor contacts is applied to analyze the capacitance-voltage and current-voltage characteristics of metal-ferroelectric-metal structures. The ferroelectric polarization is considered as a sheet of surface…
A pseudospin model for description of the influence of the electric field, confined to the plane of sublattice polarization, on the two-dimensional squaric acid antiferroelectrics is developed. The system behavior is analyzed in terms of…
The large variety of complex electronic structure materials and their alloys, offer highly promising directions for improvements in thermoelectric (TE) power factors (PF). Their electronic structure contains rich features, referred to as…
The origin of the very large piezoelectric response observed in the vicinity of the morphotropic phase boundary (MPB) in perovskite lead zirconate titanate and related systems has been under intensive studies. Polarization rotation ideas…
We report the discovery of a geometric pathway for tuning ferroelectric properties through thermally driven reconfiguration between coexisting polar states in Li-substituted NaNbO3. Using first-principles density functional theory…
A thermodynamic theory of ferroelectric thin film multilayers is developed. The free energy function is written down using a multilayer model in which c-domain layers of one ferroelectric material alternate with a-domain layers of a second…
Electrical control of magnetization or magnetic control of polarization offers an extra degree of freedom in materials possessing both electric and magnetic dipole moments viz., magnetoelectric multiferroics. Microstructure with…
The study of critical phenomena and phase transitions is an important part of modern condensed matter physics. In this regard, the phenomenological Landau theory has been extraordinarily useful. Hereby we present an alternative theoretical…
In this article, we motivate the detailed comparison of the physical properties of individual configurations of a ferroelectric solid solution as a means toward developing first principles models for these systems. We compare energies,…
We use phase field simulations to study composites made of two different ferroelastics (e.g., two types of martensite). The deformation of one material due to a phase transformation can elastically affect the other constituent and induce it…
We investigate the Hubbard model on the anisotropic triangular lattice as a suggested effective description of the Mott phase in various triangular organic compounds. Employing the variational cluster approximation and the ladder…
We calculate the energy of a boundary between ferro- and antiferromagnetic regions in a phase separated double-exchange magnet in two and three dimensions. The orientation dependence of this energy can significantly affect the geometry of…