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We present ab initio calculations of the electronic and optical properties of hexagonal SiGe alloys in the lonsdaleite structure. Lattice constants and electronic band structures in excellent agreement with experiment are obtained using…

Germanium is a strong candidate as a laser source for silicon photonics. It is widely accepted that the band structure of germanium can be altered by tensile strain so as to reduce the energy difference between its direct and indirect band…

We present ab initio calculations of electronic and optical properties of perturbed hexagonal germanium and demonstrate that it is a superior material for active optoelectronic devices in the infrared spectral region. It is known that…

Materials Science · Physics 2022-04-13 Abderrezak Belabbes , Friedhelm Bechstedt , Silvana Botti

High-quality defect-free lonsdaleite Si and Ge can now be grown on hexagonal nanowire substrates. These hexagonal phases of group-IV semiconductors have been predicted to exhibit improved electronic and optical properties for optoelectronic…

We demonstrate the crossover from indirect- to direct band gap in tensile-strained germanium by temperature-dependent photoluminescence. The samples are strained microbridges that enhance a biaxial strain of 0.16% up to 3.6% uniaxial…

Complementary to the development of highly three-dimensional (3D) integrated circuits in the continuation of Moore's law, there has been a growing interest in new 3D deformation strategies to improve device performance. To continue this…

Materials Science · Physics 2021-07-08 Simon Mellaerts , Valeri Afanasiev , Jin Won Seo , Michel Houssa , Jean-Pierre Locquet

Unlike cubic GeSn, which requires a high Sn concentration to undergo an indirect-to-direct bandgap transition, lonsdaleite (2H) germanium is an intrinsic direct-gap semiconductor. We employ first-principles density functional theory to…

Materials Science · Physics 2026-05-14 Yetkin Pulcu , János Koltai , Andor Kormányos , Guido Burkard

A silicon-compatible light source is the final missing piece for completing high-speed, low-power on-chip optical interconnects. In this paper, we present a germanium-based light emitter that encompasses all the aspects of potential…

The direct bandgap found in hexagonal germanium and some of its alloys with silicon allows for an optically active material within the group-IV semiconductor family with various potential technological applications. However, there remain…

Materials Science · Physics 2024-04-12 Yetkin Pulcu , János Koltai , Andor Kormányos , Guido Burkard

Recently fabricated two dimensional (2D) phosphorene crystal structures have demonstrated great potential in applications of electronics. In this work, strain effect on the electronic band structure of phosphorene was studied using first…

Materials Science · Physics 2014-08-11 Xihong Peng , Andrew Copple , Qun Wei

Using hybrid density functional calculations including spin-orbit coupling, we compute the strain evolution of the band structure of monolayer 1H-phase transition-metal dichalcogenides, MX$_2$ (M= Mo, W; X= S, Se, Te), emphasizing an…

The monolayer Gallium sulfide (GaS) was demonstrated as a promising two-dimensional semiconductor material with considerable band gaps. The present work investigates the band gap modulation of GaS monolayer under biaxial or uniaxial strain…

Materials Science · Physics 2021-05-24 M. Mosaferi , I. Abdolhosseini Sarsari , M. Alaei

Hexagonal boron nitride is an indirect band gap material with a strong luminescence in the ultraviolet. This luminescence originates from bound excitons recombination assisted by different phonon modes. The coupling between excitons and…

Materials Science · Physics 2022-05-05 Pierre Lechifflart , Fulvio Paleari , Claudio Attaccalite

Monolayers of transition-metal dichalcogenides have shown that uniaxial strain changes both the photoluminescence emission energy and intensity. The changes are attributed to the band-structure evolution under tensile strain where both the…

Materials Science · Physics 2026-05-19 Lee Grimberg , Svyatoslav Kostyukovets , Moshe G. Harats

In this study, we highlight the potential of strain engineering in graphene/hBN (hexagonal Boron nitride) 2D heterostructures, enabling their use as wide-range light absorbers with significant implications for optoelectronic applications.…

Mesoscale and Nanoscale Physics · Physics 2024-07-17 Priyanka Sinha , Prasanta K. Panigrahi , Bheemalingam Chittari

Applying large strain in zigzag direction, gapless graphene may turns into gapped graphene at the critical strain. The energy gap between valence and conduction bands is created above the critical deformation. We theoretically predict that,…

Mesoscale and Nanoscale Physics · Physics 2011-08-18 Bumned Soodchomshom

Within the tight binding approximation, we study the dependence of the electronic band structure and of the optical conductivity of a graphene single layer on the modulus and direction of applied uniaxial strain. While the Dirac cone…

Mesoscale and Nanoscale Physics · Physics 2010-01-15 F. M. D. Pellegrino , G. G. N. Angilella , R. Pucci

This paper investigates strain effects on the electronic and optical properties of monolayer GaSe using first-principles calculations. The deformation significantly alters energy dispersion, band gap, and the band edge states of GaSe. The…

Materials Science · Physics 2023-01-03 Vo Khuong Dien , Nguyen Thi Han , Wei-Bang Li , Kuang-I Lin , Ming-Fa Lin

We induced periodic biaxial tensile strain in polycrystalline graphene by wrapping it over a substrate with repeating pillar-like structures with a periodicity of 600 nm. Using Raman spectroscopy, we determined to have introduced biaxial…

Materials Science · Physics 2015-11-09 Marjan Aslani , C. Michael Garner , Suhas Kumar , Dennis Nordlund , Piero Pianetta , Yoshio Nishi

The emergence of hexagonal Ge (2H-Ge) as a candidate direct-gap group-IV semiconductor for Si photonics mandates rigorous understanding of its optoelectronic properties. Theoretical predictions of a "pseudo-direct" band gap, characterized…

Materials Science · Physics 2024-12-17 Christopher A. Broderick , Xie Zhang , Mark E. Turiansky , Chris G. Van de Walle
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