Investigations of optical and thermoelectric response of direct band gap Ca3XO (X = Si, Ge) anti-perovskites stabilized in cubic and orthorhombic phases
Sign Up to like & getrecommendations! Published in 2018 at "Indian Journal of Physics"
DOI: 10.1007/s12648-018-1177-5
Abstract: We predict the phase dependent electronic properties for elaborating the optical and thermoelectric behaviors of both cubic (Pm-3m) and orthorhombic (Pbnm) Ca3XO (X = Si, Ge) antiperovskites using first-principles density functional theory (DFT) computations. The mBJ functional… read more here.
Keywords: direct band; cubic orthorhombic; band gap; optical thermoelectric ... See more keywords
Two-dimensional carbon allotropes with tunable direct band gaps and high carrier mobility
Sign Up to like & getrecommendations! Published in 2021 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2020.147885
Abstract: Abstract Using first-principles calculations, two sp2 + sp3-hybridized two-dimensional (2D) carbon allotropes with stable orthorhombic structures are predicted in this work. Both structures are composed of tetra-, penta-, and hexa-rings of carbon atoms, known as TPH-I carbon… read more here.
Keywords: mobility; carbon; tph carbon; direct band ... See more keywords
Few-layer arsenic trichalcogenides: Emerging two-dimensional semiconductors with tunable indirect-direct band-gaps
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2016.12.351
Abstract: Abstract Since the discovery of graphene, two-dimensional (2D) layered nanomaterials have been receiving continuous attention owing to their extraordinary properties and promising applications in nanoelectronics. However, many 2D nanomaterials are gapless or possess a small… read more here.
Keywords: direct band; indirect direct; arsenic trichalcogenides; two dimensional ... See more keywords
Towards a direct band gap group IV Ge-based material
Sign Up to like & getrecommendations! Published in 2019 at "Materials Science in Semiconductor Processing"
DOI: 10.1016/j.mssp.2018.05.037
Abstract: Abstract A silicon-compatible laser source is of utmost importance for a successful photonic integrated circuit. The conventional solution using direct band gap III-V materials adds significant complexity into the fabrication process because the active materials… read more here.
Keywords: based material; band; band gap; direct band ... See more keywords
Direct Band Gap AlGaAs Wurtzite Nanowires.
Sign Up to like & getrecommendations! Published in 2023 at "Nano letters"
DOI: 10.1021/acs.nanolett.2c04184
Abstract: Wurtzite AlGaAs is a technologically promising yet unexplored material. Here we study it both experimentally and numerically. We develop a complete numerical model based on an 8-band k→·p→ method, including electromechanical fields, and calculate the… read more here.
Keywords: band; direct band; gap algaas; band gap ... See more keywords
Growth and Optical Properties of Direct Band Gap Ge/Ge0.87Sn0.13 Core/Shell Nanowire Arrays.
Sign Up to like & getrecommendations! Published in 2017 at "Nano letters"
DOI: 10.1021/acs.nanolett.6b04627
Abstract: Group IV semiconductor optoelectronic devices are now possible by using strain-free direct band gap GeSn alloys grown on a Ge/Si virtual substrate with Sn contents above 9%. Here, we demonstrate the growth of Ge/GeSn core/shell… read more here.
Keywords: direct band; geometry; band gap; shell ... See more keywords
Optical Absorption Exhibits Pseudo-Direct Band Gap of Wurtzite Gallium Phosphide
Sign Up to like & getrecommendations! Published in 2020 at "Scientific Reports"
DOI: 10.1038/s41598-020-64809-4
Abstract: Definitive evidence for the direct band gap predicted for Wurtzite Gallium Phosphide (WZ GaP) nanowires has remained elusive due to the lack of strong band-to-band luminescence in these materials. In order to circumvent this problem,… read more here.
Keywords: absorption; gap; direct band; band gap ... See more keywords
Two-dimensional Blue-AsP monolayers with tunable direct band gap and ultrahigh carrier mobility show promising high-performance photovoltaic properties.
Sign Up to like & getrecommendations! Published in 2019 at "Nanoscale"
DOI: 10.1039/c9nr01261c
Abstract: The successful fabrication of black phosphorene (Black-P) in 2014 and subsequent synthesis of layered black As1-xPx alloys have inspired research into two-dimensional (2D) binary As-P compounds. The very recent success in growing blue phosphorene (Blue-P)… read more here.
Keywords: asp; direct band; band gap; two dimensional ... See more keywords
Tunneling transport of 2D anisotropic XC (X = P, As, Sb, Bi) with a direct band gap and high mobility: a DFT coupled with NEGF study.
Sign Up to like & getrecommendations! Published in 2022 at "Nanoscale"
DOI: 10.1039/d2nr03578b
Abstract: Direct bandgap and significant anisotropic properties are crucial and beneficial for nanoelectronic applications. In this work, through first-principles calculations, we investigate novel two-dimensional (2D) α-XC (X = P, As, Sb, Bi) materials, which possess a… read more here.
Keywords: transport anisotropic; mobility; anisotropic; direct band ... See more keywords
SiC siligraphene: a novel SiC allotrope with wide tunable direct band gap and strong anisotropy
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Physics D: Applied Physics"
DOI: 10.1088/1361-6463/abe96a
Abstract: By employing an ab initio evolutionary algorithm, we predict two novel metastable structures whose energies are just higher than g-SiC but lower than other two-dimensional (2D) SiC siligraphenes reported so far. One is composed of… read more here.
Keywords: direct band; band gap; siligraphene; sic siligraphene ... See more keywords
Monolayer diboron dinitride: Direct band-gap semiconductor with high absorption in the visible range
Sign Up to like & getrecommendations! Published in 2020 at "Physical Review B"
DOI: 10.1103/physrevb.101.125408
Abstract: We predict a two-dimensional monolayer polymorph of boron nitride in an orthorhombic structure (oB2N2) using first-principles calculations. Structural optimization, phonon dispersion, and molecular dynamics calculations show that o-B2N2 is thermally and dynamically stable. o-B2N2 is… read more here.
Keywords: absorption; direct band; band gap; absorption visible ... See more keywords