Browsing Photonics / Fotonik by Subject "Monolayers"
Now showing items 1-12 of 12
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Ab initio and semiempirical modeling of excitons and trions in monolayer TiS3
(American Physical Society, 2018-08)We explore the electronic and the optical properties of monolayer TiS3, which shows in-plane anisotropy and is composed of a chain-like structure along one of the lattice directions. Together with its robust direct band ... -
Electronic and vibrational properties of PbI2: From bulk to monolayer
(American Physical Society, 2018-08)Using first-principles calculations, we study the dependence of the electronic and vibrational properties of multilayered PbI2 crystals on the number of layers and focus on the electronic-band structure and the Raman ... -
Hydrogen-induced structural transition in single layer ReS2
(IOP Publishing, 2017-09)By performing density functional theory-based calculations, we investigate how structural, electronic and mechanical properties of single layer ReS2 can be tuned upon hydrogenation of its surfaces. It is found that a stable, ... -
Hydrogenation-driven phase transition in single-layer TiSe2
(IOP Publishing, 2017-11)First-principles calculations based on density-functional theory are used to investigate the effects of hydrogenation on the structural, vibrational, thermal and electronic properties of the charge density wave (CDW) phase ... -
Mechanical properties of monolayer GaS and GaSe crystals
(American Physical Society, 2016-12)The mechanical properties of monolayer GaS and GaSe crystals are investigated in terms of their elastic constants: in-plane stiffness (C), Poisson ratio (ν), and ultimate strength (σU) by means of first-principles calculations. ... -
Quantum-Transport Characteristics of a p–n Junction on Single-Layer TiS3
(Wiley, 2016-12)By using density functional theory and non-equilibrium Green′s function-based methods, we investigated the electronic and transport properties of a TiS3 monolayer p–n junction. We constructed a lateral p–n junction on a ... -
Stability, electronic and phononic properties of β and 1T structures of SiTex (x = 1, 2) and their vertical heterostructures
(IOP Publishing, 2017-08)By performing first-principles calculations, we predict a novel, stable single layer phase of silicon ditelluride, 1T-SiTe2, and its possible vertical heterostructures with single layer β-SiTe. Structural optimization and ... -
Stable monolayer α-phase of CdTe: Strain-dependent properties
(Royal Society of Chemistry, 2017)CdTe is a well known and widely used binary compound for optoelectronic applications. In this study, we propose the thinnest, free standing monolayer of CdTe which has a tetragonal-PbO (α-PbO) symmetry. The structural, ... -
Structural changes in a Schiff base molecular assembly initiated by scanning tunneling microscopy tip
(IOP Publishing, 2016-07)We report the controlled self-organization and switching of newly designed Schiff base (E)-4-((4-(phenylethynyl) benzylidene) amino) benzenethiol (EPBB) molecules on a Au (111) surface at room temperature. Scanning tunneling ... -
Structural, electronic and phononic properties of PtSe2: From monolayer to bulk
(Institute of Physics Publishing, 2018-06)The layer dependent structural, electronic and vibrational properties of the 1T phase of two dimensional (2D) platinum diselenide are investigated by means of state-of-the-art first-principles calculations. The main findings ... -
Thinning CsPb2Br5 perovskite down to monolayers: Cs-dependent stability
(American Physical Society, 2017-10)Using first-principles density functional theory calculations, we systematically investigate the structural, electronic, and vibrational properties of bulk and potential single-layer structures of perovskitelike CsPb2Br5 ... -
Tuning electronic and magnetic properties of monolayer α-RuCl3 by in-plane strain
(Royal Society of Chemistry, 2018)By employing density functional theory-based methods, the structural, vibrational, electronic, and magnetic properties of monolayer α-RuCl3 were investigated. It was demonstrated that ferromagnetic (FM) and zigzag-antife ...
