Related papers: On the theory of ferroelectric solid solutions
The functionality of ferroelectrics is often constrained by their Curie temperature, above which depolarization occurs. Lithium (Li) is the only experimentally known substitute that can increase the Curie temperature in ferroelectric…
We demonstrate how the quantum paraelectric ground state of SrTiO$_3$ can be accessed via a microscopic $ab~initio$ approach based on density functional theory. At low temperature the quantum fluctuations are strong enough to stabilize the…
The recent progress in the theory of generalized Lambert functions makes possible to solve exactly the Weiss equation of ferromagnetism. However, this solution is quite inconvenient for practical purposes. Precise approximate analytical…
Molecular ferroelectrics have captured immense attention due to their superiority over inorganic oxide ferroelectrics, such as environmentally friendly, low-cost, flexible, foldable. However, the mechanisms of ferroelectric switching and…
Two aspects of conductive heat are focused here (i) the nature of conductive heat, defined as that form of energy that is transferred as a result of a temperature difference and (ii) the nature of the intermolecular potentials that induces…
We solve the Landau-Lifshitz-Gilbert equation in the finite-temperature regime, where thermal fluctuations are modeled by a random magnetic field whose variance is proportional to the temperature. By rescaling the temperature proportionally…
We present a nonperturbative computation of the equation of state of polarized, attractively interacting, nonrelativistic fermions in one spatial dimension at finite temperature. We show results for the density, spin magnetization, magnetic…
The investigation of the structural phase transition in the vicinity of the Curie temperature $T_c$ of LiNb$_{1-x}$Ta$_x$O$_3$ crystals is motivated by the expected combination of advantageous high-temperature properties of LiNbO$_3$ and…
Ferroelectric materials underlie key optical technologies in optical communications, integrated optics and quantum computing. Yet, there is a lack of a consistent thermodynamic framework to predict the optical properties of ferroelectrics…
We propose a ferromagnetic/ferroelectric hybrid double quantum well structure, and present an investigation of the Curie temperature (Tc) modulation in this quantum structure. The combined effects of applied electric fields and spontaneous…
An effective Hamiltonian for the ferroelectric transition in $PbTiO_3$ is constructed from first-principles density-functional-theory total-energy and linear-response calculations through the use of a localized, symmetrized basis set of…
The equation of state of QCD at finite temperatures and baryon densities has a wide range of applications in many fields of modern particle and nuclear physics. It is the main ingredient to describe the dynamics of experimental heavy ion…
We present a data set of calculated Curie temperatures for the main-phase compounds of rare-earth permanent magnets. We employ ab initio electronic structure calculations for the itinerant ferromagnetism and an effective spin model for the…
This work presents a general thermodynamic approach to describe particle diffusion on a lattice, a model used to study transport processes in solids and on surfaces. By treating each lattice site as an open thermodynamic system, the effects…
We carry out first-principles calculations of the nonlinear dielectric response of short-period ferroelectric superlattices. We compute and store not only the total polarization, but also the Wannier-based polarizations of individual atomic…
We study in a nonperturbative fashion the thermodynamics of a unitary Fermi gas over a wide range of temperatures and spin polarizations. To this end, we use the complex Langevin method, a first principles approach for strongly coupled…
In quantum materials, degeneracies and frustrated interactions can have a profound impact on the emergence of long-range order, often driving strong fluctuations that suppress functionally relevant electronic or magnetic phases. Engineering…
We present a many-body approach to the electronic and magnetic properties of the (multiband) Kondo-lattice model with ferromagnetic interband exchange. The coupling between itinerant conduction electrons and localized magnetic moments…
A density functional theory of ferromagnetism in heterostructures of compound semiconductors doped with magnetic impurities is presented. The variable functions in the density functional theory are the charge and spin densities of the…
The Schroedinger equation for the charmonium and bottomonium states at finite temperature is solved by employing an effective temperature dependent potential given by a linear combination of the color singlet free and internal energies…