相关论文: A Landau-Devonshire Analysis of Strain Effects on …
Electric field dependent mechanical properties of relaxor ferroelectric material Pb(Mn1/3Nb2/3)O3-PbTiO3 are investigated with the nanoindentation technique. Giant electric-field-tunable apparent elastic modulus (up to -39%), hardness (-9%…
The polarization and strain response of ferroelectric materials at fields below the macroscopic coercive field is of a paramount importance for the operation of many electronic devices. The response of real ferroelectric and related…
Magnetoelectric coupling terms are derived in piezoelectric/magnetostrictive (multiferroic) thin film heterostructures using Landau-Ginzburg free energy expansions in terms of strain and by considering strain boundary conditions between the…
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…
Antiperovskite nitrides with the general formula M$_3$N have attracted significant attention due to their tunable electronic and magnetic properties. Among them are many cobalt-based compounds predicted to exhibit high thermodynamic…
A number of diverse bulk properties of the zincblende and wurtzite III-V nitrides AlN, GaN, and InN, are predicted from first principles within density functional theory using the plane-wave ultrasoft pseudopotential method, within both the…
We report a comprehensive study of the temperature-dependent structural, magnetic, vibrational, and dielectric properties of Al-substituted M-type hexaferrites SrFe$_{12-x}$Al$_x$O$_{19}$. Neutron powder diffraction and M\"ossbauer…
Motivated by the observed thickness-scaling of the coercive field in ferroelectric films over five decades, we develop a statistical approach towards understanding the conceptual underpinnings of this behavior. Here the scaling exponent is…
Halide perovskites have emerged as promising candidates for next generation photovoltaic applications, attracting significant attention in recent years. Through first-principles calculations combined with group-theoretical analyses, we…
Graphene is a powerful playground for studying a plethora of quantum phenomena. One of the remarkable properties of graphene arises when it is strained in particular geometries and the electrons behave as if they were under the influence of…
Zirconia and hafnia based thin films have attracted tremendous attention in the last decade due to their unexpected ferroelectric behavior at the nanoscale, which facilitates the downscaling of ferroelectric devices. The present work…
We study the linear and nonlinear optical properties of wurtzite GaN under c-axial stress field, using density functional theory calculations. The fully structural optimization at each c-axial strain was performed. The calculated dielectric…
The structural parameters with stability upon Si incorporation and elastic, electronic, thermodynamic and optical properties of Ti3Al1-xSixC2 (0 \leq x \leq 1) are investigated systematically by the plane wave psedudopotential method based…
The profile of suspended silicon nitride thin films patterned with one-dimensional subwavelength grating structures is investigated using Atomic Force Microscopy. We first show that the results of the profilometry can be used as input to…
We investigate the effect of basal-plane stacking faults on the structural, electronic, and polarization properties of wurtzite GaN and ZnO. This theoretical study is performed within density-functional theory (DFT) using periodic hexagonal…
Germanium is a strong candidate as a laser source for silicon photonics. It is widely accepted that the band structure of germanium can be altered by tensile strain so as to reduce the energy difference between its direct and indirect band…
We report on theoretical and experimental investigation of A-site driven ferroelectricity in ferromagnetic La2NiMnO6 thin films grown on SrTiO3 substrates. Structural analysis and density functional theory calculations show that epitaxial…
Density functional theory is used to investigate the effect of biaxial strain on the structural, electronic and magnetic properties of [111]-oriented NdNiO$_3$, as a representative of the rare-earth perovskites that undergo…
The structural, dielectric, dynamical, elastic, piezoelectric and nonlinear optical (second-order susceptibility and Pockels tensors) properties of Bi2$WO6 in its P2_1ab ferroelectric ground state are determined using density functional…
Two dimensional allotropes of group IV substrates including silicene, germanene and stanene have recently attracted considerable attention in nanodevice fabrication industry. These materials involving the buckled structure have been…