相关论文: Quasiparticle band-gap renormalization in doped mo…
We derive the boundary conditions for MoS$_2$ and similar transition-metal dichalcogenide honeycomb (2H polytype) monolayers with the same type of $\mathbf{k}\!\cdot\!\mathbf{p}$ Hamiltonian within the continuum model around the K points.…
Layer-dependent electronic and structural properties of emerging graphitic carbon boron compound C3B are investigated using both density functional theory and the GW approximation. We discover that, in contrast to a moderate quasiparticle…
Hybrid heterostructures based on bulk GaN and two-dimensional (2D) materials offer novel paths toward nanoelectronic devices with engineered features. Here, we study the electronic properties of a mixed-dimensional heterostructure composed…
Two-dimensional (2D) materials have recently been the focus of extensive research. By following a similar trend as graphene, other 2D materials including transition metal dichalcogenides (MX2) and metal mono-chalcogenides (MX) show great…
A recent highlight in the study of high-Tc superconductors is the observation of band renormalization / self-energy effects on the quasiparticles. This is seen in the form of kinks in the quasiparticle dispersions as measured by…
We investigate the effects of environmental dielectric screening on the electronic dispersion and the band gap in the atomically-thin, quasi two-dimensional (2D) semiconductor WS$_2$ using correlative angle-resolved photoemission and…
We calculate the electronic structure for a modulation doped and gated T-shaped quantum wire using density functional theory. We calculate the bandgap renormalization as a function of the density of conduction band electrons, induced by the…
The thickness-dependent band structure of MoS2 implies that discontinuities in energy bands exist at the interface of monolayer (1L) and multilayer (ML) thin films. The characteristics of such heterojunctions are analyzed here using current…
High-temperature superconductivity emerges in the CuO$_2$ plane upon doping a Mott insulator. To ascertain the influence of Mott physics plus short-range correlations, we solve a three-band copper-oxide model in the charge-transfer regime…
In search of an improved strategy to form low resistance contacts to MoS2 and related semiconducting transition metal dichalcogenides, we use ab initio density functional electronic structure calculations in order to determine the…
We present a systematic study of the variables affecting the electronic and optical properties of two-dimensional(2D) crystals within \textit{ab initio} GW and GW plus Bethe Salpeter Equation (GW-BSE) calculations. As a prototypical 2D…
With help of ab initio density functional theory calculation, DFT+U, and hybrid functional HSE06, we revisit the layer dependent electronic structure and magnetic properties of pristine and 3d transition metal Cr doped MoS$_2$ monolayer and…
In optically excited two-dimensional phototransistors, charge transport is often affected by photodoping effects. Recently, it was shown that such effects are especially strong and persistent for graphene/h-BN heterostructures, and that…
Monolayer transition metal dichalcogenides are novel, gapped two-dimensional materials. Toward device applications, we consider MoS$_2$ layers on dielectrics, in particular in this work, the effect of vacancies on the electronic structure.…
We present numerical calculations of the impact of charge carriers-carriers interactions on the dynamical properties of quasiparticles such as renormalized velocity and quasiparticle inelastic scattering lifetime in a gapped graphene sheet.…
Twisted bilayer transition metal dichalcogenides are ideal platforms to study flat-band phenomena. In this paper, we investigate flat-band plasmons in the hole-doped twisted bilayer MoS$_2$ (tb-MoS$_2$) by employing a full tight-binding…
Bulk MoS2, a prototypical layered transition-metal dichalcogenide, is an indirect band gap semiconductor. Reducing its size to a monolayer, MoS2 undergoes a transition to the direct band semiconductor. We support this experimental…
Two-dimensional (2D) layered transition metal dichalcogenides (TMDs) have emerged as promising materials for electronic, optoelectronic, and valleytronic applications. Recent work suggests drastic changes of the band gap and exciton binding…
We performed high-throughput density functional theory calculations of optical matrix elements between band edges across a diverse set of non-magnetic two-dimensional monolayers with direct band gaps. Materials were ranked as potential…
Wrinkles and nanobubbles are an integral and often unavoidable part of integrating 2D van der Waals semiconductors into actual device architectures. Despite their ubiquitous nature, quantitative correlation between such spatially…