Related papers: Stable Monolayer alpha-Phase of CdTe: Strain-Depen…
We investigate the optical property of monolayer and layered BiI$_3$ and reveal the presence of exciton only in the monolayer crystal. We evaluate the energy spectrum of a dielectric function by using time-dependent density functional…
Recent developments in the 2D materials laid emphasis on finding the materials with robust properties for variety of applications including the energy harvesting. The recent discovery of Janus monolayers with broken symmetry has opened up…
We present a symmetry-based calculation of the electronic structure of a compound semiconductor quantum dot (QD) in the sp^3s* tight-binding model including the spin-orbit interaction. The Hamiltonian matrix is diagonalized exactly for CdTe…
Techniques to mold the flow of light on subwavelength scales enable fundamentally new optical systems and device applications. The realization of programmable, active optical systems with fast, tunable components is among the outstanding…
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…
Atomically thin two-dimensional semiconducting transition metal dichalcogenides (TMDs) can withstand large levels of strain before their irreversible damage occurs. This unique property offers a promising route for control of the optical…
Non-trivial electronic states are attracting intense attention in low-dimensional physics. Though chirality has been identified in charge states with a scalar order parameter, its intertwining with charge density waves (CDW), film thickness…
Organic charge-transfer complexes (CTCs) formed by strong electron acceptor and strong electron donor molecules are known to exhibit exotic effects such as superconductivity and charge density waves. We present a low-temperature scanning…
Optical control of crystal structures is a promising route to change physical properties including topological nature of a targeting material. Time-resolved X-ray diffraction measurements using the X-ray free-electron laser are performed to…
Few-layer InSe draws tremendous research interests owing to the superior electronic and optical properties. It exhibits high carrier mobility up to more than 1000 cm2/Vs at room temperature. The strongly layer-tunable band gap spans a large…
Td-WTe2 is a topological Weyl semimetal. WTe2 in the orthorhombic structure is stable at room temperature. Elastic, electronic, bonding, and optoelectronic properties of WTe2 have been investigated in detail in this work using the density…
The simplest way to obtain thin carbon layers is to draw or rub with a graphite rod. During rubbing, forces of friction acting in graphite/substrate tribological system cause drastic changes in the structure of the interface stratum…
A systematic theoretical study of two PbTe-based ternary alloys, Pb1-xCdxTe and Pb1-xMnxTe, is reported. First, using ab initio methods we study the stability of the crystal structure of CdTe - PbTe solid solutions, to predict the…
Thin films prepared of semiconductor nanoparticles are promising for low-cost electronic applications such as transistors and solar cells. One hurdle for their breakthrough is their notoriously low conductivity. To address this, we…
Some meta-stable polymorphs of bismuth monolayer (bismuthene) can host topologically nontrivial phases. However, it remains unclear if these polymorphs can become stable through interaction with a substrate, whether their topological…
MoTe2 belongs to the semiconducting transition metal dichalcogenide family with some properties differing from the other well-studied members (Mo,W)(S,Se)2. The optical band gap is in the near infrared region and both monolayers and…
Few-layer Tellurium, an elementary semiconductor, succeeds most of striking physical properties that black phosphorus (BP) offers and could be feasibly synthesized by simple solution-based methods. It is comprised of non-covalently bound…
First-principles density functional theory based calculations have been performed to investigate the strain-induced modifications in the electronic and vibrational properties of monolayer (ML) ZnO. Wide range of in-plane tensile and…
Density functional theory has been applied to investigate the electronic structure and lattice stability of molybdenene monolayer in both its hexagonal and triclinic phases, within ultrasoft pseudopotential approach. In agreement with…
Using density functional theory based methods we report the structural, electronic and topological properties of the FCC crystal compound TmBi. This material is found to be dynamically stable and shows a non magnetic semimetalic character.…