Related papers: Dynamic flexoelectric effect in perovskites from f…
We address the numerical simulation of periodic solids (phononic crystals) within the framework of couple stress elasticity. The additional terms in the elastic potential energy lead to dispersive behavior in shear waves, even in the…
Flexoelectricity is a universal effect that generates electric polarization due to broken inversion symmetry caused by local strain gradient. The large strain gradient at nanoscale makes flexo-electric effects, especially in nanoscopic…
Doped HfO2 thin films exhibit robust ferroelectric properties even for nanometric thicknesses, are compatible with current Si technology and thus have great potential for the revival of integrated ferroelectrics. Phase control and…
The subject of this paper is to present a theory for the dynamic radiation force produced by dual-frequency ultrasound beams in lossless and non-dispersive fluids. A formula for the dynamic radiation force exerted on a three-dimensional…
Stripe order where electrons self-organize into alternating periodic charge-rich and magnetically-ordered charge-poor parallel lines was proposed as a way of optimizing the kinetic energy of holes in a doped Mott insulator. Static stripes…
We present a study based on numerical simulations and comparative analysis of recent experimental data concerning the operation and design of FeFETs. Our results show that a proper consideration of charge trapping in the…
A novel stable crystallographic structure is discovered in a variety of ABO3, ABF3 and A2O3 compounds (including materials of geological relevance, prototypes of multiferroics, exhibiting strong spin-orbit effects, etc...), via the use of…
We report a first-principles study on the elastic, vibrational, and electronic properties of recently synthesized phosphorene. By calculating Gr\"uneisen parameters, we evaluate the frequency shift of Raman/infrared active modes via…
The possibility of realizing an electrostatically induced phononic crystal is investigated numerically in an acoustic waveguide based on a graphene sheet that is suspended over periodically arrayed electrodes. The application of dc voltage…
We have developed a novel multiscale computational scheme to describe coupled dynamics of light electromagnetic field with electrons and atoms in crystalline solids, where first-principles molecular dynamics based on time-dependent density…
The structural, elastic, magnetic properties, as well as electronic structure and chemical bonding picture of new oxide 3d1-perovskite BaVO3, recently synthesized, were systematically investigated involving the first-principles FLAPW-GGA…
Ultrafast spectroscopies can access the dynamics of electrons and nuclei at short timescales, shedding light on nonequilibrium phenomena in materials. However, development of accurate calculations to interpret these experiments has lagged…
Using first-principles calculations within the generalized gradient approximation, we predicted the lattice parameters, elastic constants, vibrational properties, and electronic structure of cementite (Fe3C). Its nine single-crystal elastic…
Within the Landau-Ginsburg-Devonshire phenomenological approach we study the ferroic nanosystems properties changes caused by the flexo-effect (flexoelectric, flexomagnetic, flexoelastic) existing spontaneously due to the inhomogeneity of…
A method based on the Fast Fourier Transform is proposed to obtain the dispersion relation of acoustic waves in heterogeneous periodic media with arbitrary microstructures. The microstructure is explicitly considered using a voxelized…
In recent years, nanostructuring of dielectric and semiconducting crystals has enhanced controllability of their thermal conductivity. To carry out computational material search for nanostructured materials with desirable thermal…
The structural, dynamical, and thermodynamical properties of diamond, graphite and layered derivatives (graphene, rhombohedral graphite) are computed using a combination of density-functional theory (DFT) total-energy calculations and…
Dynamic models, particularly rate-dependent models, have proven effective in capturing the key phenomenological features of frictional processes, whilst also possessing important mathematical properties that facilitate the design of control…
Structural softness - often characterized by unstable phonon modes and large electromechanical responses - is a hallmark of ferroelectric perovskites like BaTiO3 or Pb(Ti,Zr)O3. Whether HfO2 ferroelectrics present any such structural…
A phenomenological model on the relationship between viscoelasticity and flexoelectricity is proposed to address the electromechanical coupling under rheological processes in viscoelastic materials. Our theoretical studies show that some…