Related papers: A generic tight-binding model for monolayer, bilay…
We investigate the electronic and optical properties of monolayer and stacking dependent bilayer blue phosphorus in the framework of density functional theory (DFT) and tight-binding approximations. We extract the hopping parameters of TB…
We present a systematic study on the stability and the structural and electronic properties of mixed molybdenum-niobium disulphides. Using density functional theory we investigate bilateral doping with up to 25 % of MoS2 (NbS2) by Nb (Mo)…
Monolayers (ML) of Group-6 transition-metal dichalcogenides (TMDs) are semiconducting two-dimensional materials with direct bandgap, showing promising applications in various fields of science and technology, such as nanoelectronics and…
An empirical $s_cp^3_a$ tight-binding (TB) model is applied to the investigation of electronic states in semiconductor quantum dots. A basis set of three $p$-orbitals at the anions and one $s$-orbital at the cations is chosen. Matrix…
Edge structures are highly relevant to the electronic, magnetic and catalytic properties of two-dimensional (2D) transition metal dichalcogenides (TMDs) and their one dimensional (1D) counterpart, i.e., nanoribbons, which should be…
The layered transition metal dichalcogenides (TMDs) have attracted considerable interest due to their unique electronic and optical properties. Here we report electric field induced strong electroluminescence in multi-layer MoS2 and WSe2.…
We investigate the resonant optical response of single material-anisotropic nanoparticles (NPs) of molybdenum disulfide (MoS$_2$) and their two-dimensional arrays (metasurfaces) irradiated by plane waves of the telecomunication optical…
We fabricate MoS2 field effect transistors on both SiO2 and polymethyl methacrylate (PMMA) dielectrics and measure charge carrier mobility in a four-probe configuration. For multilayer MoS2 on SiO2, the mobility is 30-60 cm2/Vs, relatively…
We propose an effective lattice Hamiltonian for monolayer MoS$_2$ in order to describe the low-energy band structure and investigate the effect of perpendicular electric and magnetic fields on its electronic structure. We derive a…
We theoretically study the electronic and the thermal characteristics of Tantalum, Ta, doped Molybdenum disulfide, MoS$_2$, using density functional theory. It has been shown that the MoS$_2$ monolayer is not a good material for…
Thermal properties of molybdenum disulfide (MoS$_2$) have recently attracted attention related to fundamentals of heat propagation in strongly anisotropic materials, and in the context of potential applications to optoelectronics and…
The electronic and optoelectronic properties of two dimensional materials have been extensively explored in graphene and layered transition metal dichalcogenides (TMDs). Spintronics in these two-dimensional materials could provide novel…
The performance of electronic and spintronic devices based on two-dimensional semiconductors (2D SC) is largely dependent on the quality and resistance of the metal/SC electrical contacts, as well as preservation of the intrinsic properties…
Contemporary science is witnessing a rapid expansion of the two-dimensional (2D) materials family, each member possessing intriguing emergent properties of fundamental and practical importance. Using the particle-swarm optimization method…
Atomically thin two-dimensional (2D) transition metal dichalcogenides (TMDs), such as MoS$_2$, are promising candidates for nanoscale photonics because of strong-light matter interactions. However, Fermi level pinning due to metal-induced…
Bilayer MoS2 is a centrosymmetric semiconductor with degenerate spin states in the six valleys at the corners of the Brillouin zone. It has been proposed that breaking of this inversion symmetry by an out-of-plane electric field breaks this…
As silicon transistors scale toward future technology nodes, three-dimensional architectures -- including gate-all-around (GAA) nanoribbon and complementary field-effect transistors (CFETs) -- require channel widths in the tens of…
MoS$_2$, a member of transition metal dichalcogenides (TMDs), recently emerged as one of the fastest growing two-dimensional materials due to its fascinating mechanical, thermal, electronic and optical properties. Unlike graphene which…
Transition-metal dichalcogenides (TMDs), such as molybdenum disulfide (MoS2), are expected to be promising for next generation device applications. The existence of sulfur vacancies formed in MoS2, however, will potentially make devices…
First-principle calculations with different exchange-correlation functionals, including LDA, PBE and vdW-DF functional in form of optB88-vdW, have been performed to investigate the electronic and elastic properties of two dimensional…