Related papers: A Self-Consistent Computational Framework for Disp…
Piezoelectric and ferroelectric ceramics with a high Curie temperature (Tc) have attracted a growing attention owning to their applications under severe environments. In this work, phase structure, dielectric, ferroelectric and…
The Hubbard model on fcc-type lattices is studied in the dynamical mean-field theory of infinite spatial dimensions. At intermediate interaction strength finite temperature Quantum Monte Carlo calculations yield a second order phase…
Critical phenomena at finite temperature underpin a broad range of physical systems, yet their study remains challenging due to computational bottlenecks near phase transitions. Quantum annealers have attracted significant interest as a…
SrTiO$_{3}$ is known to be an incipient ferroelectric. It is thought that ferroelectric stability in SrTiO$_{3}$ is suppressed by a delicate competition with quantum fluctuation and antiferrodistortion. The ferroelectric phase can, however,…
The consideration of size-induced ferroelectric-paraelectric phase transition for conventional and incipient ferroelectrics thin films with perovskite structure was carried out in phenomenological theory framework of…
A phenomenological thermodynamic potential was constructed based on the symmetry analysis and property characterization of bulk DyCo2. An eight-order polynomial of Landau expansion was employed to describe the thermodynamic behavior of…
Computing the temperature and stress dependence of the full elastic constant tensor from first-principles in non-cubic materials remains a challenging problem. Here we circumvent the aforementioned challenge via the generalized…
The critical fluctuations in SrTiO$_3$ near its $105 K$ structural phase transition were studied with triple axis diffractometry using high energy ($\ge 100 keV$) synchrotron radiation in different SrTiO$_3$ crystals with different oxygen…
We present a finite element discretization of a non-linear diffusion equation used in the field of critical phenomena and, more recently, in the context of Dynamic Density Functional Theory. The discretized equation preserves the structure…
Phase transition between ferroelectricity and quantum paraelectricity via non-thermal tuning parameters can lead to quantum critical behavior and associated emergent phenomena. Ferroelectric quantum critical systems are, however, rare…
Mechanical strain presents an effective control over symmetry-breaking phase transitions. In quantum paralelectric SrTiO3, strain can induce the ferroelectric transition via modification of local Ti potential landscape. However, brittle…
We assess the performance of nonempirical, truly nonlocal and semi-local functionals with regard to structural and thermal properties of $3d$, $4d$, and $5d$ non-magnetic transition metals. We focus on constraint-based functionals and…
We present a numerical study of thermodynamical properties of dimerized frustrated Heisenberg chains down to extremely low temperatures with applications to CuGeO$_3$. A variant of the finite temperature density matrix renormalization group…
Recent theoretical and experimental advances in quantum ferroelectrics suggest that ferroelectricity can also emerge in non-polar space group, highlighting the limitations of conventional polar space group criteria in identifying…
Polycrystalline sample of (Ba_{0.90}Pb_{0.10})(Ti_{0.90}Sn_{0.10})O_3 was obtained by means of a conventional ceramic technology. The dielectric measurements were performed depending on temperature and frequency of electric measuring field.…
We use the coupled 2d-spin-3d-fermion model proposed by Rosch {\sl et. al.} (Phys. Rev. Lett. {\bf 79}, 159 (1997)) to study the thermoelectric behaviour of a heavy fermion compound when it is close to an antiferromagnetic quantum critical…
Ferroelectric domain walls have emerged as one of the most fascinating objects in condensed matter physics due to the broad variability of functional behaviors they exhibit. However, the vast majority of domain walls studies have been…
A dielectric nonlinear response in model two-phase composites, prepared from a displacive ferroelectric material with a dominant dielectric response due to a single oscillator ferroelectric mode and a dielectric material, is characterized…
We studied the phase diagram of thin ferroelectric films with incommensurate phases and semiconductor properties within the framework of Landau-Ginzburg-Devonshire theory. We performed both analytical calculations and phase-field modelling…
Using Landau-Ginzburg-Devonshire theory and effective medium approximation, we analytically calculate typical dependences of the pyroelectric and electrocaloric coefficients on external electric field, temperature and radius for spherical…