Related papers: Small strain induced large piezoelectric coefficie…
Using the density functional theory of electronic structure, we compute the anisotropic dielectric response of bulk black phosphorus subject to strain. Employing the obtained permittivity tensor, we solve Maxwell's equations and study the…
First-principles calculations are used to probe the effects of mechanical strain on the magnetic and optical properties of monolayer (ML) 2H-TaSe$_2$. A complex dependence of these physical properties on strain results in unexpected…
We present a theoretical investigation of epitaxial strain effects on the magnetic fluctuation properties of Mn$_3$Sn noncollinear antiferromagnets. Employing density functional theory (DFT), we uncover significant strain-induced…
Within the framework of the density functional theory, we calculate the electronic structure of $\alpha$-(BEDT-TTF)$_2$I$_3$ at 8K and room temperature at ambient pressure and with uniaxial strain along the $a$- and $b$-axes. We confirm the…
We investigate the effect of strain along armchair and zigzag directions on electrical transport in graphene through a magnetic barrier and a linearly polarized electromagnetic wave. In the context of Floquet theory, the eigenvalues and…
Piezomagnetism couples strain linearly to magnetic order producing magnetization. Thus, unlike magnetostriction, it enables bidirectional control of a net magnetic moment. If this effect becomes large at room temperature, it may be…
TaSe$_3$ is a metallic layered material whose structure is built from TaSe$_3$ trigonal prismatic chains. In this work we report a first-principles density functional theory study of TaSe$_3$ single-layers and we find that, despite the…
We describe a facile technique based on polymer encapsulation to apply several percent controllable strains to monolayer and few-layer Transition Metal Dichalcogenides (TMDs). We use this technique to study the lattice response to strain…
Low-dimensional (LD) transition metal dichalcogenides (TMDs) in the form of nanoflakes, which consist of one or several layers, are the subject of intensive fundamental and applied research. Due to the size-induced transition from a bulk to…
The modification of the nature and size of bandgaps for III-V semiconductors is of strong interest for optoelectronic applications. Strain can be used to systematically tune the bandgap over a wide range of values and induce…
We perform a systematic {\it ab initio} study of the work function and its uniform strain dependence for graphene and silicene for both tensile and compressive strains. The Poisson ratios associated with armchair and zigzag strains are also…
Materials with negative Poisson's ratio, also known as auxetic materials, display exotic properties such as expansion in all directions under uni-axial tension. For their unique properties, these materials find a broad range of applications…
Recent studies on superconductivity in NbSe$_2$ have demonstrated a large anisotropy in the superconducting critical field when the material is reduced to a single monolayer. Motivated by this recent discovery, we use density functional…
We investigate the structure and mechanical behavior of assemblies of frictionless, nearly rigid equal-sized beads, in the quasistatic limit, by numerical simulation. Three different loading paths are explored: triaxial compression,…
Elastic strain engineering utilizes stress to realize unusual material properties. For instance, strain can be used to enhance the electron mobility of a semiconductor, enabling more efficient solar cells and smaller, faster transistors. In…
Charge-density waves (CDWs) in Weyl semimetals (WSMs) have been shown to induce an exotic axionic insulating phase in which the sliding mode (phason) of the CDW acts as a dynamical axion field, giving rise to a large positive…
Ultra-thin film of FeRh on insulator MgO substrate has been investigated usingab-initio electronic structure calculations. From this calculation, we have found the interesting effect of epitaxial strain on the magnetocrystalline anisotropy…
Mechanical and electronic properties of $s$-triazine are studied using first-principles calculations based on density functional theory. The in-plane stiffness and bulk modulus for $s$-triazine sheet are found to be less than that of…
Valley-related multiple Hall effect and piezoelectric response are novel transport characteristics in low-dimensional system, however few studies have reported their coexistence in a single system as well as their coupling relationships. By…
Multifunctional materials composed of ultrathin magnetic films with perpendicular magnetic anisotropy combined with ferroelectric substrates represent a new approach toward low power, fast, high density spintronics. Here we demonstrate…