Related papers: Strain Effects on Electronic Properties of Cobalt-…
Germanium quantum dots in strained $\text{Ge}/\text{Si}_{1-x}\text{Ge}_{x}$ heterostructures exhibit fast and coherent hole qubit control in experiments. In this work, we theoretically and numerically address the effects of random alloy…
In this work, the electrical properties of monolayer InSb in the presence of biaxial strain using density functional theory are investigated. Here, we first explore the band structure of InSb with and without spin-orbit coupling (SOC)…
The exciton states of strained CdTe/CdS core-shell tetrapod-shaped nanocrystals were theoretically investigated by the numerical diagonalization of a configuration interaction Hamiltonian based on the single-band effective mass…
We report a systematic study of the composition-dependent bulk properties in $Co_{1/3(1\pm\delta)}NbS_{2}$ single crystals across a series of precisely controlled cobalt compositions with -4%<$\delta$<8%. By tuning the cobalt stoichiometry,…
The newly synthesized ultrathin carbon nanothreads have drawn great attention from the carbon community. Here, based on first-principles calculations, we investigate the electronic properties of carbon nanothreads under the influence of two…
The incidence of topology on the band structure and physical properties of layered compounds has been extensively studied in semimetals. How those evolve in presence of electronic correlations has been less investigated so far. In the…
Orbital degrees of freedom can have pronounced effects on the fundamental properties of electrons in solids. In addition to influencing bandwidths, gaps, correlation strength and dispersion, orbital effects have also been implicated in…
Carbon nanotubes (CNTs) are a one-dimensional material system with intriguing physical properties that lead to emerging applications. While CNTs are unusually strain resistant compared to bulk materials, their optical-absorption spectrum is…
A new two-dimensional material, the C$_2$N holey 2D (C$_2$N-$h$2D) crystal, has recently been synthesized. Here we investigate the strain effects on the properties of this new material by first-principles calculations. We show that the…
Using first-principles computations, we study the effect of epitaxial strains on electronic structure variations across ZnSe/ZnTe nano-heterostructures. Epitaxial strains of various types are modeled using pseudomorphic ZnSe/ZnTe…
We characterize the electronic structure and elasticity of monolayer transition-metal dichalcogenides MX2 (M=Mo, W, Sn, Hf and X=S, Se, Te) with 2H and 1T structures using fully relativistic first principles calculations based on density…
We theoretically investigate the manipulation of the quantum anomalous Hall effect (QAHE) in graphene by means of the uniaxial strain. The values of Chern number and Hall conductance demonstrate that the strained graphene in presence of…
Metallic kagome systems have attracted considerable interest in recent years, as they provide a rich platform for studying phenomena associated with their distinctive band structure. The coexistence of bands with Dirac points similar to…
Strain provides an effective means to tune the electrical properties while retaining the native chemical composition of the material. Unlike three-dimensional solids, two-dimensional materials withstand higher levels of elastic strain…
First-principles calculations, within the framework of density functional theory, have been performed on the well-studied 2H and the less explored 1T$^{\prime}$ phase of single-layer MoS$_{2}$. We have addressed the strain-induced…
Exotic quantum solids can host electronic states that spontaneously break rotational symmetry of the electronic structure, such as electronic nematic phases and unidirectional charge density waves (CDWs). When electrons couple to the…
We performed a theoretical investigation of the structural and electronic properties of (i) pristine, and (ii) superlattice structures of borophene. In (i), by combining first-principles calculations, based on the density functional theory…
Carbon-based bilayer van der Waals (vdW) materials are attracting much attention due to their predicted interesting physical properties. Here, we theoretically investigate electronic and optical properties of C$_3$B/C$_3$N vdW…
Quantum anomalous Hall effect (QAHE) is a fundamental quantum transport phenomenon in condensed matter physics. Until now, the only experimental realization of the QAHE has been observed for Cr/V-doped (Bi,Sb)$_2$Te$_3$ but at extremely low…
Strain dependence of electronic structures and work functions of both pristine and potassium doped (5,5) (armchair) and (9,0) (zigzag) carbon nanotubes (CNTs) has been thoroughly studied using first-principles calculations based on density…