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Optical properties of nodal-line semimetal ZrSiS are studied using first-principles calculations. Frequency-independent optical conductivity is a fingerprint of the infrared optical response in ZrSiS. We find that this characteristic…

Computational Physics · Physics 2019-12-05 Weiqing Zhou , A. N. Rudenko , Shengjun Yuan

The shift current is part of the second-order optical response of materials with a close connection to topology. Here we report a sign inversion in the band-edge shift photoconductivity of the Haldane model when the system undergoes a…

Mesoscale and Nanoscale Physics · Physics 2023-11-27 Javier Sivianes , Julen Ibañez-Azpiroz

Efficient and cost-effective Si-compatible lasers are a long standing wish of the optoelectronic industry. In principle, there are two options. For many applications, lasers based on III-V compounds provide compelling solutions, even if the…

We have performed a comprehensive first-principles study of the electronic and magnetic properties of two-dimensional (2D) transition-metal dichalcogenide (TMD) heterobilayers MX2/MoS2 (M = Mo, Cr, W, Fe, V; X = S, Se). For M = Mo, Cr, W;…

Mesoscale and Nanoscale Physics · Physics 2014-03-05 Ning Lu , Hongyan Guo , Lei Li , Jun Dai , Lu Wang , Wai-Ning Mei , Xiaojun Wu , Xiao Cheng Zeng

As most materials available in macroscopic quantities, graphene appears in a polycrystalline form and thus contains grain boundaries. In the present work, the effect of uniaxial strain on the electronic transport properties through graphene…

Mesoscale and Nanoscale Physics · Physics 2016-06-07 Viet Hung Nguyen , Trinh Xuan Hoang , Philippe Dollfus , Jean-Christophe Charlier

We demonstrate the continuous tuning of the electronic structure of atomically thin MoS2 on flexible substrates by applying a uniaxial tensile strain. A redshift at a rate of ~70 meV per percent applied strain for direct gap transitions,…

Mesoscale and Nanoscale Physics · Physics 2013-06-24 Keliang He , Charles Poole , Kin Fai Mak , Jie Shan

Monolayer transition metal dichalcogenides are promising materials for photoelectronic devices. Among them, molybdenum disulphide (MoS$_2$) and tungsten disulphide (WS$_2$) are some of the best candidates due to their favorable band gap…

Materials Science · Physics 2015-06-19 Luqing Wang , Alex Kutana , Boris I. Yakobson

Quantum emitters in hexagonal boron nitride (hBN) are promising building blocks for the realization of integrated quantum photonic systems. However, their spectral inhomogeneity currently limits their potential applications. Here, we apply…

Materials Science · Physics 2020-01-13 Noah Mendelson , Marcus Doherty , Milos Toth , Igor Aharonovich , Toan Trong Tran

The n-type tensile-strained Ge can be used as high-efficient light-emitting materials. To reveal the influence of n-type doping on the electronic structure of Ge, we have computed the electronic structure of P, As and Sb doped Ge using…

Materials Science · Physics 2017-06-14 Zhong-Hua Dai , Yao-Ping Xie , Yi-Chen Qian , Li-Juan Hu , Xiao-Di Li , Hai-Tao Ma

By combining {\it ab initio} calculations and experiments we demonstrate how the band gap of the transition metal tri-chalcogenide TiS$_3$ can be modified by inducing tensile or compressive strain. We show by numerical calculations that the…

Crystalline semiconductors may exist in different polytypic phases with significantly different electronic and optical properties. In this paper, we calculate the electronic structure and optical properties of diamond, Si and Ge in the…

Materials Science · Physics 2014-02-27 Amrit De , Craig E. Pryor

Two-dimensional materials (2DMs) are fundamentally electro-mechanical systems. Their environment unavoidably strains them and modifies their quantum transport properties. For instance, a simple uniaxial strain could completely turn off the…

Mesoscale and Nanoscale Physics · Physics 2024-04-30 A. C. McRae , G. Wei , L. Huang , S. Yigen , V. Tayari , A. R. Champagne

Nonuniform strain distributions in a graphene lattice can give rise to uniform pseudomagnetic fields and associated pseudo-Landau levels without breaking time-reversal symmetry. We demonstrate that by inducing superconductivity in a…

Mesoscale and Nanoscale Physics · Physics 2017-05-25 Shu-Ping Lee , Debaleena Nandi , Frank Marsiglio , Joseph Maciejko

InSe, a member of the layered materials family, is a superior electronic and optical material which retains a direct bandgap feature from the bulk to atomically thin few-layers and high electronic mobility down to a single layer limit. We,…

Germanium and silicon-germanium alloys have found entry into Si technology thanks to their compatibility with Si processing and their ability to tailor electronic properties by strain and band-gap engineering. Germanium's potential to…

Strain induced band gap deformations of hydrogenated/fluorinated graphene and hexagonal BN sheet have been investigated using first principles density functional calculations. Within harmonic approximation, the deformation is found to be…

Materials Science · Physics 2015-05-27 A. Bhattacharya , S. Bhattacharya , G. P. Das

Strain engineering offers unique control to manipulate the electronic band structure of two-dimensional materials (2DMs) resulting in an effective and continuous tuning of the physical properties. Ad-hoc straining 2D materials has…

Magnetic effects at optical frequencies are notoriously weak. This is evidenced by the fact that the magnetic permeability of nearly all materials is unity in the optical frequency range, and that magneto-optical devices (such as Faraday…

Mesoscale and Nanoscale Physics · Physics 2015-06-05 Mikael C. Rechtsman , Julia M. Zeuner , Andreas Tünnermann , Stefan Nolte , Mordechai Segev , Alexander Szameit

The optical properties of silicon can be greatly tuned by applying strain and opening new perspectives, particularly in applications where infrared is key. In this work, we use a recent model for the indirect light absorption of silicon and…

Using ab initio electronic structure calculations we investigate the change of the band structure and the nu_0 topological invariant in HgSe (non-centrosymmetric system) under two different type of uniaxial strain along the [001] and [110]…

Materials Science · Physics 2015-06-15 Lars Winterfeld , Luis A. Agapito , Jin Li , Nicholas Kioussis , Peter Blaha , Yong P. Chen