相关论文: A Landau-Devonshire Analysis of Strain Effects on …
FeRh based alloys may display an uncommon transition from a ferromagnetic to an antiferromagnetic state upon cooling. The transition takes place roughly above room temperature and it can be sensitively modulated by composition and external…
Using the Landau-Ginzburg-Devonshire phenomenological approach we explore the strain-polarization coupling in the low-dimensional van der Waals ferrielectrics. We evolve the analytical model of the piezoelectric susceptibility of the…
We study the effect of depolarization field related with inhomogeneous polarization distribution, strain and surface energy parameters on a domain wall profile near the surface of a ferroelectric film within the framework of…
The wealth of complex polar topologies recently found in nanoscale ferroelectrics result from a delicate balance between the materials intrinsic tendency to develop a homogeneous polarization and the electric and mechanic boundary…
We report first-principle atomistic simulations on the effect of local strain gradients on the nanoscale domain morphology of free-standing PbTiO$_3$ ultrathin films. First, the ferroelectric properties of free films at the atomic level are…
Density functional calculations are performed to study the effect of epitaxial strain on PbZrO3. We find a remarkably small energy difference between the epitaxially strained polar R3c and nonpolar Pbam structures over the full range of…
Sc-based III-nitride alloys were studied using Density Functional Theory with special quasi-random structures and were found to retain wide band gaps which stay direct up to x = 0.125 (ScxAl1-xN) and x = 0.375 (ScxGa1-xN). Epitaxial strain…
Based on density functional theory (DFT) calculations including an on-site Hubbard $U$ term we investigate the effect of substrate-induced strain on the properties of ferrimagnetic Fe$_2$O$_3$-FeTiO$_3$ solid solutions and heterostructures.…
Nitride perovskites are an emerging class of materials that have been predicted to display a range of interesting physics and functional properties, but they are under-explored due to the difficulty of synthesizing oxygen-free nitrides.…
Al1-xScxN has attracted significant interest due to its large remnant polarization and low processing temperature when compared to other ferroelectric material systems. However, device dielectric failure before ferroelectric switching…
The recent discovery of high-temperature superconductivity in La$_3$Ni$_2$O$_7$ under ambient-pressure in strained thin films raises the question of how superconductivity can be optimized through strain. In this work, we investigate the…
Aluminum scandium nitride (AlScN) has emerged as a highly promising material for high-temperature applications due to its robust piezoelectric, ferroelectric, and dielectric properties. This study investigates the behavior of Al0.7Sc0.3N…
This paper reports the fatigue and retention behavior for Al1-xBxN thin films, a member of the novel family of wurtzite ferroelectrics, with an emphasis on the role of capacitor architecture. By modifying the capacitor architecture, and…
The effective piezoelectric coefficients of twin walls in tetragonal ferroelectric are calculated in the framework of decoupling approximation and Landau-Ginzburg-Devonshire theory allowing for polarization gradient terms, electrostriction…
We present a first-principles study of the relationship between stress, temperature and electronic properties in piezoelectric ZnO. Our method is a plane wave pseudopotential implementation of density functional theory and density…
Theoretical analysis based on the Landau-Ginzburg-Devonshire (LGD) theory is used to show that the product effect of flexoelectricity and rotostriction can lead to a spontaneous polarization in the vicinity of antiphase boundaries,…
Thickness dependence and strain effects in films of $La_{1-x}A_xMnO_3$ perovskites are analyzed in the colossal magnetoresistance regime. The calculations are based on a generalization of a variational approach previously proposed for the…
The direct magnetoelectric (ME) effect mediated by lattice strains induced in a ferroelectric film by a ferromagnetic substrate is evaluated using first-principles-based calculations. To that end, the strain sensitivity of ferroelectric…
Nitride perovskites are supposed to exhibit excellent properties as oxide analogues and may even have better performance in specific fields for their more covalent characters. However, till now, very limited nitride perovskites have been…
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…