Related papers: Effects of Vacancies on Properties of Relaxor Ferr…
Oxide heterostructures exhibit a vast variety of unique physical properties. Examples are unconventional superconductivity in layered nickelates and topological polar order in (PbTiO$_3$)$_n$/(SrTiO$_3$)$_n$ superlattices. Although it is…
The changes that vacancies produce in the properties of hcp solid 4He are studied by means of quantum Monte Carlo methods. Our results show that the introduction of vacancies produces significant changes in the behavior of solid 4He, even…
Oxygen vacancies at the SnO2(110) and (101) surface and subsurface sites have been studied in the framework of density functional theory by using both all-electron Gaussian and pseudopotential plane-wave methods. The all-electron…
Piezoelectrics with negative longitudinal piezoelectric coefficients will contract in the direction of an applied electric field. Such piezoelectrics are thought to be rare but there is no fundamental physics preventing the realization of…
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…
We investigate the effect of polar Sr-O vacancy pairs on the electric polarization of SrMnO$_3$ (SMO) thin films using density functional theory (DFT) calculations. This is motivated by indications that ferroelectricity in complex oxides…
Plasmonic excitations behave fundamentally different in layered materials in comparison to bulk systems. They form gapless modes, which in turn couple at low energies to the electrons. Thereby they can strongly influence superconducting…
Equilibrium and non-equilibrium relaxation behaviors of two-dimensional superconducting arrays are investigated via numerical simulations at low temperatures in the presence of incommensurate transverse magnetic fields, with frustration…
While BiFeO3-based solid solutions show great promise for applications in energy conversion and storage, realizing this promise necessitates understanding the structure-property relationship in particular pertaining to the relaxor-like…
Manipulating point defects for tailored macroscopic properties remains a formidable challenge in materials science. This study demonstrates a proof-of-principle for a universal law involving element Mn, significantly enhancing vacancy…
III-nitrides and related alloys are widely used for optoelectronics and as acoustic resonators. Ferroelectric wurtzite nitrides are of particular interest because of their potential for direct integration with Si and wide bandgap…
We study the occurrence of negative differential conductance induced by resonance effects in a model for a multilayer heterostructure. In particular, we consider a system consisting of several correlated and non-correlated monoatomic…
We construct ferroelectric (LuFeO3)m/(LuFe2O4) superlattices with varying index m to study the effect of confinement on topological defects. We observe a thickness-dependent transition from neutral to charged domain walls and the emergence…
We demonstrate the tunability of oxygen content in pulsed laser deposition (PLD)-grown barium stannate (BaSn$O_3$, BSO) thin films by precisely controlling the background oxygen pressure over a broad range from 0.0004 mbar to 0.13 mbar. The…
We develop a computationally inexpensive model to examine the dynamics of boson-assisted electron relaxation in solids, studying nonequilibrium dynamics in a metal, in a nodal superconductor with a stationary density of states, and in a…
An argument that relaxor ferroelectricity in the isovalent alloy $\mathrm {Ba(Zr}_{1-x}\mathrm{Ti}_{x})\mathrm{O}_3$ can be understood as an induced moment soft pseudo-spin glass on the B-ions of the $\mathrm{ABO}_{3}$ matrix is extended to…
First-principles spin-polarized calculations have been performed on passivated Boron-Nitride Nanoribbons (BNNRs) with pentagon-heptagon line-defects (PHLDs) (also called as Stone-Wales line-defects). Two kinds of PHLDs, namely, even-line…
Ferroelectrics show a phase transition to a paraelectric phase at a well-defined transition temperature. Introducing disorder makes this transition diffuse, and the system becomes a relaxor. Since the degree of (dis-)order is usually…
The presence of magnetic fields and/or transport currents can cause penetration of vortices in superconductors. Their motion leads to dissipation and resistive state arises, which in turn strongly affects the performance of superconducting…
The decay of the electrical energy in a resistor-vacuum capacitor circuit is shown to involve multiple relaxation processes, with dramatically different time constants. This is measured using a vacuum capacitor to eliminate the effect of a…