Related papers: Piezoelectricity in Two-Dimensional Group III Mono…
Janus transition metal dichalcogenides are an emerging class of atomically thin materials with engineered broken mirror symmetry that gives rise to long-lived dipolar excitons, Rashba splitting, and topologically protected solitons. They…
Atomically thin two dimensional (2D) layered materials have emerged as a new class of material for nanoelectromechanical systems (NEMS) due to their extraordinary mechanical properties and ultralow mass density. Among them, graphene has…
Using high-throughput first-principles calculations to search for layered van der Waals materials with the largest piezoelectric stress coefficients, we discover NbOI2 to be the one among 2940 monolayers screened. The piezoelectric…
The septuple-atomic-layer $\mathrm{VSi_2P_4}$ with the same structure of experimentally synthesized $\mathrm{MoSi_2N_4}$ is predicted to be a spin-gapless semiconductor (SGS). In this work, the biaxial strain is applied to tune electronic…
Driven by interactions due to the charge, spin, orbital, and lattice degrees of freedom, nanoscale inhomogeneity has emerged as a new theme for materials with novel properties near multiphase boundaries. As vividly demonstrated in complex…
Multilayer structures on the basis of n-type (In,Fe)Sb and p-type (Ga,Fe)Sb diluted magnetic semiconductors (DMS) along with separate (In,Fe)Sb and (Ga,Fe)Sb layers were fabricated on GaAs substrates by pulsed laser sputtering of InSb,…
The Janus VSBrI monolayer, identified by first-principles calculations, emerges as a promising semiconducting material with desirable ferromagnetic and ferroelectric properties. It's in-plane magnetic anisotropic energy is up to 460…
Two-dimension (2D) semiconductor materials have attracted much attention and research interest for their novel properties suitable for electronic and optoelectronic applications. In this paper, we have proposed an idea in new 2D materials…
Two-dimensional (2D) transition metal dichalcogenides MX2 (M = Mo, W, X = S, Se, Te) attracts enormous research interests in recent years. Its 2H phase possesses an indirect to direct bandgap transition in 2D limit, and thus shows great…
Since the emergence of monolayer graphene as a promising two-dimensional material, many other monolayer and few-layer materials have been investigated extensively. An experimental study of few-layer Si2Te3 was recently reported, showing…
We present a comprehensive first-principles investigation into the gas sensing capabilities of a novel two-dimensional Indium Oxide (In2O3) monolayer, using density functional theory (DFT) calculations. Targeting both resistive-type and…
A reduced dimensionality of multiferroic materials is highly desired for device miniaturization, but the coexistence of ferroelectricity and magnetism at the two-dimensional limit is yet to be conclusively demonstrated. Here, we used a…
First-principles studies of two-dimensional transition metal dichalcogenides have contributed considerably to the understanding of their dielectric, optical, elastic, and vibrational properties. The majority of works to date focus on a…
PtSe$_2$ is one of the most promising materials for the next generation of piezoresistive sensors. However, the large-scale synthesis of homogeneous thin films with reproducible electromechanical properties is challenging due to…
The structural evolution of the strain-driven morphotropic phase boundary (MPB) in BiFeO3 films has been investigated using synchrotron x-ray diffractometry in conjunction with scanning probe microscopy. Our results demonstrate the…
Based on density functional theory (DFT), we performed first-principle studies on the electronic structure, magnetic state and optical properties of two-dimensional (2D) transition-metal phosphorous trichalcogenide MnPX$_3$ (X=S and Se).…
Magnetic doping of 2D materials such as Transition Metal Dichalcogenides is promising for the enhancement of magneto-optical properties, as it was previously observed for 3D diluted magnetic semiconductors. To maximize the effect of…
Layered two-dimensional (2D) materials display great potential for a range of applications, particularly in electronics. We report the large-scale synthesis of thin films of platinum diselenide (PtSe2), a thus far scarcely investigated…
Optical and electronic properties of two dimensional few layers graphitic silicon carbide (GSiC), in particular monolayer and bilayer, are investigated by density functional theory and found different from that of graphene and silicene.…
Coexistence of ferromagnetism, piezoelectricity and valley in two-dimensional (2D) materials is crucial to advance multifunctional electronic technologies. Here, Janus ScXY (X$\neq$Y=Cl, Br and I) monolayers are predicted to be in-plane…