Related papers: Single-layer MoS$_2$ on Au(111): band gap renormal…
Many properties of layered materials change as they are thinned from their bulk forms down to single layers, with examples including indirect-to-direct band gap transition in 2H semiconducting transition metal dichalcogenides as well as…
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…
The epitaxial growth of {111} oriented Au on MoS$_2$ is well documented despite the large lattice mismatch (~8% biaxial strain), and the fact that a Au {001} orientation results in much less elastic strain. An analysis based on density…
The multiband nature of iron-pnictide superconductors is one of the keys to the understanding of their intriguing behavior. The electronic and magnetic properties heavily rely on the multiband interactions between different electron and…
Here, our angle resolved photoemission spectroscopy experiment reveled that the surface band structure of the 1T-VSe2 host electronic states that was not predicted or probed before. Earlier claims to support charge density wave phase can be…
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…
Although many prototype devices based on two-dimensional (2D) MoS2 have been fabricated and wafer scale growth of 2D MoS2 has been realized, the fundamental nature of 2D MoS2-metal contacts has not been well understood yet. We provide a…
Moir\'e systems featuring flat electronic bands exhibit a vast landscape of emergent exotic quantum states, making them one of the resourceful platforms in condensed matter physics in recent times. Tuning these systems via twist angle and…
We have used density functional theory calculations based on the projector augmented wave method to investigate the electronic structure of Au-incorporated anatase TiO$_2$(001) surface. Due to the coordination with several level oxygens, Au…
The electronic structure of Au-Sn intermetallic layers of different compositions grown on Au(111) to the thickness of several nanometers has been studied in this work. The layer, interface and the substrate related components in the Au 4$f$…
In light of the rise of transition metal dichalcogenides as 2D semiconductors for device applications, band engineering becomes very important from an application point of view. In many of these materials, such as the canonical example of…
Molybdenum disulfide (MoS$_2$) has attracted interest owing to its strain-tuned electronic and optical properties, making it a promising candidate for applications in strain engineering devices. In this study, we investigate the effect of…
We propose an accurate tight-binding parametrization for the band structure of MoS$_2$ monolayers near the main energy gap. We introduce a generic and straightforward derivation for the band energies equations that could be employed for…
Tuning the electronic structures of two-dimensional (2D) material-based heterostructures is of crucial importance for their use in functional next-generation electronics. Here, through angle-resolved photoemission spectroscopy with…
Here we report the successful growth of MoSe2 on single layer hexagonal boron nitride (hBN) on Ru(0001) substrate by using molecular beam epitaxy. We investigated the electronic structures of MoSe2 using scanning tunneling microscopy and…
We study electron transport in monolayer molybdenum disulfide MoS$_2$ subjected to a magnetic barrier. Our analysis employs a full-band continuum model to capture the relevant physical phenomena. We focus on how electron energy, magnetic…
Transition metal dichalcogenides have attracted much attention recently due to their potential applications in spintronics and photonics as a result of the indirect to direct band gap transition and the emergence of the spin-valley coupling…
We present first-principles many-body calculations of the dielectric constant, quasiparticle band structure, and optical absorption spectrum of monolayer MoS$_2$ using a supercell approach. As the separation between the periodically…
The strong spin-orbit coupling and the broken inversion symmetry in monolayer transition metal dichalcogenides (TMDs) results in spin-valley coupled band structures. Such a band structure leads to novel applications in the fields of…
We first derive the energy dispersion of bilayer MoS$_{2}$ in the presence of a perpendicular electric field $E_z$. We show that the band gap and layer splitting can be controlled by the field $E_z$. Away from the $k$ point, the intrinsic…