相关论文: First-principles Study of Carrier Mobility in MX (…

Ideal two-dimensional (2D) semiconductors with high mobility comparable to three-dimensional (3D) Si or GaAs are still lacking, hindering the development of high-performance 2D devices. Here in this work, using first-principles calculations…

Two-dimensional materials with a proper band gap and high carrier mobility are urgently desired in the field of nanoelectronics. We propose a novel two-dimensional crystal monolayer $\mathrm{TlP_5}$, which is dynamically and…

The electron-phonon interaction and related transport properties are investigated in monolayer silicene and MoS2 by using a density functional theory calculation combined with a full-band Monte Carlo analysis. In the case of silicene, the…

We calculated the electron mobility of 14 two dimensional semiconductors with composition of MX$_2$, where M (= Mo, W, Sn, Hf, Zr and Pt) is the transition metal, and X is S, Se and Te. We treated the scattering matrix by deformation…

It is known that carrier mobility in layered semiconductors generally increases from two-dimension (2D) to three-dimension due to suppressed scattering channels resulting from decreased densities of electron and phonon states. In this work,…

Intrinsic electron- and hole-phonon interactions are investigated in monolayer transition metal dichalcogenides MX$_2$ (M=Mo,W; X=S,Se) based on a density functional theory formalism. Due to their structural similarities, all four materials…

Lead and tin chalcogenides have been studied widely due to their promising thermoelectric (TE) properties. Further enhancement in their TE efficiency has been reported upon the reduction of the dimension, which is an important feature in…

The extraordinary properties and the novel applications of black phosphorene induce the research interest on the monolayer group-IV monochalcogenides. Here using the first-principles calculations, we systematically investigate the…

Monolayer group-III monochalcogenides (MX, M = Ga, In; X = S, Se, Te), an emerging category of two-dimensional (2D) semiconductors, hold great promise for electronics, optoelectronics and catalysts. By first-principles calculations, we show…

The influence of an external electric field on single-layer transition-metal dichalcogenides TX2 with T = Mo, W and X = S, Se (MoWSeS) have been investigated by means of density-functional theory within two-dimensional periodic boundary…

We present a theory for single- and two-phonon charge carrier scattering in anisotropic two-dimensional semiconductors applied to single-layer black phosphorus (BP). We show that in contrast to graphene, where two-phonon processes due to…

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…

Two-dimensional crystals are emerging materials for nanoelectronics. Development of the field requires candidate systems with both a high carrier mobility and, in contrast to graphene, a sufficiently large electronic bandgap. Here we…

Within the framework of Boltzmann equation, we present a $\mathbf{k\cdot p}$ theory based study for the low-field mobilities of InSb nanowires (InSb NWs) with relatively large cross sectional sizes (with diameters up to 51.8 nm). For such…

In this work, the electrical and spin properties of monolayer MoSi2X4 (X= N, P, As, and Sb) under vertical strain are investigated. The band structures state that MoSi2N4 is an indirect semiconductor, whereas other compounds are direct…

Recent studies indicated the interesting metal-to-semiconductor transition when layered bulk GeP3 and SnP3 are restricted to the monolayer or bilayer, and SnP3 monolayer has been predicted to possess high carrier mobility and promising…

Tin monoxide is an interesting two-dimensional material because of the rare oxide semiconductor with bipolar conductivity. However, the lower room temperature mobility limits the applications of SnO in the future. Thus, we systematically…

Two-dimensional (2D) semiconductors have demonstrated great potential for next-generation electronics and optoelectronics. An important property for these applications is the phonon-limited charge carrier mobility. The common approach to…

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).…

Carbon nanotubes (CNTs) have large intrinsic carrier mobility due to weak acoustic phonon scattering. However, unlike two-dimensional metal-oxide-semiconductor field effect transistors (MOSFETs), substrate surface polar phonon (SPP)…