相关论文: Small strain induced large piezoelectric coefficie…

Motivated by recent experimental progress, we study the effect of mechanical deformations on the superconducting pairing symmetries in monolayer black phosphorus (MBP). Starting with phonon-mediated intervalley spin-singlet…

We study the effect of strain on the band engineering in gapped graphene subject to external sources. By applying the Floquet theory, we determine the effective Hamiltonian of electron dressed by a linearly, circularly and an elliptically…

Controlling the bandgap through local-strain engineering is an exciting avenue for tailoring optoelectronic materials. Two-dimensional crystals are particularly suited for this purpose because they can withstand unprecedented…

The effect of strain on the magnetic order and band structure of single-layer CrAsS$_4$ has been investigated by first-principles calculations based on density functional theory. We found that single-layer CrAsS$_4$ was an antiferromagnetic…

Phosphorene, an emerging elemental two-dimensional (2D) direct band gap semiconductor with fascinating structural and electronic properties distinctively different from other 2D materials such as graphene and MoS2, is promising for novel…

Mixed valence rare-earth samarium compounds SmX (X=Se,Te) have been recently proposed as candidate materials for use in high-speed, low-power digital switches driven by stress induced changes of resistivity. At room temperature these…

The intrinsic carrier transport dynamics in phosphorene is theoretically examined. Utilizing a density functional theory treatment, the low-field mobility and the saturation velocity are characterized for both electrons and holes in the…

The Dirac nodal-line semimetals (DNLS) are new promising materials for technological applications due to its exotic properties, which originate from band structures dispersion and nodal-line behavior. We report a study on effects of several…

Strain engineering is a very effective method to continuously tune the electronic, topological, optical and thermoelectric properties of materials. In this work, strain-dependent phonon transport of recently-fabricated antimonene (Sb…

By submonolayer insertion of Au, Pt, or Pd into Ta / CoFeB / MgO / Ta heterostructures we tune the perpendicular magnetic anisotropy and the coercive field of the ferromagnetic layer. We demonstrate that this has a major influence on the…

Recent developments in the 2D materials laid emphasis on finding the materials with robust properties for variety of applications including the energy harvesting. The recent discovery of Janus monolayers with broken symmetry has opened up…

In this work, the structural, electrical, and optical properties of bilayer SiX (X= N, P, As, and Sb) are studied using density functional theory (DFT). Five different stacking orders are considered for every compound and their structural…

Electride materials offer attractive physical properties due to their loosely bound electrons. Ca2N, an electride in the two-dimensional (2D) form was successfully recently synthesized. We conducted extensive first-principles calculations…

In the present work, we investigated the electronic and elastic properties in equilibrium and under strain of the type-II Dirac semimetal NiTe$_2$ using density functional theory (DFT). Our results demonstrate the tunability of Dirac nodes'…

In this work, for the first time, a density functional theory (DFT) based comprehensive theoretical study is performed on the surface electronic properties of Bi2Se3 nanosheet in the presence of a surface capping layer as well as mechanical…

Biaxial strain dependence of electronic structures and thermoelectric properties of monolayer $\mathrm{MoS_2}$, including compressive and tensile strain, are investigated by using local-density approximation (LDA) plus spin-orbit coupling…

Tailoring magnetoresistance and magnetic anisotropy in van der Waals magnetic materials is essential for advancing their integration into technological applications. In this regard, strain engineering has emerged as a powerful and versatile…

A small fraction of phosphorus (up to 10 %) was incorporated in ferromagnetic (Ga,Mn)As epilayers grown on a GaAs substrate. P incorporation allows reducing the epitaxial strain or even change its sign, resulting in strong modifications of…

In this paper, a consistent theory is developed for size-dependent piezoelectricity in dielectric solids. This theory shows that electric polarization can be generated as the result of coupling to the mean curvature tensor, unlike previous…

Strain engineering in single-layer semiconducting transition metal dichalcogenides aims to tune their bandgap energy and to modify their optoelectronic properties by the application of external strain. In this paper we study transition…