Related papers: Strain induced mobility modulation in single-layer…
We calculate the phonon thermal conductivity of various moir\'e bilayer systems using a continuum approach and the semiclassical transport theory. When the twist angle is close to 0, we observe a significant reduction of thermal…
We have surveyed the in-plane transport properties of the graphene twist bilayer using (i) a low-energy effective Hamiltonian for the underlying electronic structure, (ii) an isotropic elastic phonon model, and (iii) the linear Boltzmann…
We have studied an effect of uniaxial strain to the temperature of Bose-Einstein condensation of intersite bipolarons within the framework of Extended Holstein-Hubbard model. Uniaxial lattice strains are taken into an account by introducing…
We analyze the electronic transport through a model spin-1 molecule as a function of temperature, magnetic field and bias voltage. We consider the effect of magnetic anisotropy, which can be generated experimentally by stretching the…
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…
Understanding exciton thermalization is critical for optimizing optoelectronic and photocatalytic processes in many materials. However, it is hard to access the dynamics of such processes experimentally, especially on systems such as…
Manipulating the optical and quantum properties of two-dimensional (2D) materials through strain engineering is not only fundamentally interesting but also provides significant benefits across various applications. In this work, we employ…
We show that by combining high-k dielectric substrate and high density of charge carriers, Coulomb impurity can be effectively screened, leading to an unprecedented room-temperature mobility of ~150cm2/Vs in monolayer MoS2. The high sample…
The electronic and vibrational properties of 2D materials are dramatically altered by the formation of a moir\'e superlattice. The lowest-energy phonon modes of the superlattice are two acoustic branches (called phasons) that describe the…
We investigate the conduction-band structure and electron mobility in rocksalt ScN based on density functional theory. The first-principles band structure allows us to obtain band velocities and effective masses as a function of energy.…
Strain engineering is an effective tool for tailoring the properties of two-dimensional (2D) materials, especially for tuning quantum phenomena. Among the limited methods available for strain engineering under cryogenic conditions, thermal…
By means of atomistic tight-binding calculations, we investigate the effects of uniaxial strain on the electronic bandstructure of twisted graphene bilayer. We find that the bandstructure is dramatically deformed and the degeneracy of the…
We study the effect of applied strain as a physical control parameter for the phase transitions of Ca(Fe1-xCox)2As2 using resistivity, magnetization, x-ray diffraction and 57Fe M\"ossbauer spectroscopy. Biaxial strain, namely compression of…
We present ab initio calculations on the effect of in-plane equi-biaxial strain on the structural and electronic properties of hypothetical graphene-like GaN monolayer (ML-GaN). It was found that ML-GaN got buckled for compressive strain in…
We compute the thermal conductivity of monolayer beryllene using the linearized phonon Boltzmann transport equation with interatomic force constants obtained from \textit{ab-initio} calculations. Monolayer beryllene exhibits an impressive…
We combine the linearized Boltzmann Transport Equation (LBTE) and quantum transport by means of the Non-equilibrium Green's Functions (NEGF) to simulate single-layer MoS2 and WS2 ultra-scaled transistors with carrier mobilities extracted…
We investigate the effects of the in-plane biaxial strain and charge doping on the charge density wave (CDW) order of monolayer $1T$-TiSe$_2$ by using the first-principles calculations. Our results show that the tensile strain can…
Both electron and phonon transport properties of single layer MoS2 (SLMoS2) are studied. Based on first-principles calculations, the electrical conductivity of SLMoS2 is calculated by Boltzmann equations. The thermal conductivity of SLMoS2…
We present a computational study of the magnetic anisotropy energy for a given concentration of the Mn ions in the GaAs host, in the framework of the density functional theory. We focus on the influence of a different kind of strains on the…
In this work, we report on the mechanical responses and fracture behavior of pristine and defected monolayer 1T-Titanium Disulfide using classical molecular dynamics simulation. We investigated the effect of temperature, strain rate and…