相关论文: Improving the Functional Control of Aged Ferroelec…
Scanning Transmission Electron Microscopy (STEM) has enabled mapping of atomic structures of solids with sub-pm precision, providing insight to the physics of ferroic phenomena and chemical expansion. However, only a subset of information…
BiFeO3 is a model multiferroic in which the ferroelectric polarization is coupled to ferroelastic lattice distortions, yet deterministic control of its domain structure remains limited by high switching fields and competing polarization…
We rejuvenate well-aged quasi-2D binary colloidal glasses by thermal cycling, and systematically measure both the statistical responses and particle-level structural evolutions during rejuvenation. While the moduli and boson peak are…
Evolution of a stripe array of polarization domains triggered by the oxygen vacancy migration in an acceptor doped ferroelectric is investigated in a self-consistent manner. A comprehensive model based on the Landau-Ginzburg-Devonshire…
Atomic intercalation in two dimensional (2D) layered materials can engineer the electronic structure at the atomic scale, bringing out tunable physical and chemical properties which are quite distinct in comparison with pristine one. Among…
We apply high-throughput DFT calculations and symbolic regression to hybrid inorganic/organic interfaces with the intent to extract physically meaningful correlations between the adsorption-induced work function modifications and the…
The kinetics and thermodynamics of first order transitions is universally controlled by defects that act as nucleation sites and pinning centers. Here we demonstrate that defect-domain interactions during polarization reversal processes in…
Dopants can significantly affect the properties of oxide ceramics through their impact on the property-determined microstructure characteristics such as grain boundary (GB) segregation, space charge layer formation in the GB vicinity, and…
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…
We design a multiferroic metal that combines seemingly incompatible ferromagnetism, ferroelectricity, and metallicity by hole doping a two-dimensional (2D) ferroelectric with high density of states near the Fermi level. The strong…
Amorphous materials driven away from equilibrium display a diverse repertoire of complex, history-dependent behaviors. One striking feature is a failure to return to equilibrium after an abrupt change in otherwise static external…
Molecular dynamics simulations predict a giant electrocaloric effect at the ferroelectric-antiferroelectric phase boundary in PZT (PbTiO$_3$-PbZrO$_3$). These large-scale simulations also give insights into the atomistic mechanisms of the…
Er3+ color centers are promising candidates for quantum science and technology due to their long electron and nuclear spin coherence times, as well as their desirable emission wavelength. By selecting host materials with suitable,…
A novel atomistic effective Hamiltonian scheme, incorporating an original and simple bilinear energetic coupling, is developed and used to investigate the temperature dependent physical properties of the prototype antiferroelectric PbZrO3…
Tuning the lattice degree of freedom in nanoscale functional crystals is critical to exploit the emerging functionalities such as piezoelectricity, shape-memory effect, or piezomagnetism, which are attributed to the intrinsic lattice-polar…
In a ferroelectric field effect transistor (FeFET), it is generally assumed that the ferroelectric gate plays a purely electrostatic role. Recently it has been shown that in some cases, which could be called 'active FeFETs', electronic…
The control of magnetization via the application of an electric field, known as magnetoelectric coupling, is among the most fascinating and active research areas today. In addition to fundamental scientific interest, magnetoelectric effects…
A model is proposed that considers aging and rejuvenation in a soft glassy material as respectively a decrease and an increase in free energy. The aging term is weighted by inverse of characteristic relaxation time suggesting greater…
Using a non-local Monte Carlo algorithm, we study the aging of a fragile glass, being able to follow it up to equilibibrium down to 0.89 Tmc (Tmc is the Mode-Coupling temperature) and up to unprecedentedly large waiting times at lower…
We report a molecular dynamics study of ab initio quality of the ferroelectric phase transition in crystalline PbTiO3. We model anharmonicity accurately in terms of potential energy and polarization surfaces trained on density functional…