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The bowing of the energy of the three lowest band-to-band transitions in $\beta$-(Al$_{x}$Ga$_{1-x}$)$_2$O$_3$ alloys was resolved using a combined density functional theory (DFT) and generalized spectroscopic ellipsometry (GSE) approach.…

Emerging classical and quantum device concepts demand precise spatial control over the optoelectronic properties of two-dimensional (2D) materials, but deterministic engineering via local multiaxial strain distributions remains challenging.…

Bandgap engineering of low-dimensional materials forms a robust basis for advancements in optoelectronic technologies. Platinum diselenide (PtSe2) material exhibits a transition from semi-metal to semiconductor (SM-SC) when going from bulk…

Materials Science · Physics 2024-07-08 Rania Amairi , Adlen Smiri , Sihem Jaziri

We theoretically explore the possibility of tuning the topological order of cubic diamond/zinc-blende semiconductors with external strain. Based on the tight-binding model, we analyze the evolution of the cubic semiconductor band structure…

Materials Science · Physics 2012-09-11 Wanxiang Feng , Wenguang Zhu , Hanno H. Weitering , G. Malcolm Stocks , Yugui Yao , Di Xiao

We study the effects of the uniaxial tensile strain and shear deformation as well as their combinations on the electronic properties of single-layer black phosphorene. The evolutions of the strain-dependent band gap are obtained using the…

Despite the growing interest in topological materials, the difficulty of experimentally synthesizing and integrating them with other materials has been one of the main barriers restricting access to their unique properties. Recent advances…

Materials Science · Physics 2020-03-25 Zhenyao Fang , Heng Gao , Jörn W. F. Venderbos , Andrew M. Rappe

In this investigation, we conducted density functional theory simulations to explore the mechanical responses of single-layer GeP, GeAs, SiP and SiAs. In particular, we explored the possibility of band-gap engineering in these 2D structures…

Computational Physics · Physics 2018-06-19 Bohayra Mortazavi , Timon Rabczuk

Using multiband k*p theory we study the size and geometry dependence on the slow light properties of conical semiconductor quantum dots. We find the V-type scheme for electromagnetically induced transparency (EIT) to be most favorable, and…

Mesoscale and Nanoscale Physics · Physics 2010-02-11 D. Barettin , J. Houmark , B. Lassen , M. Willatzen , T. R. Nielsen , J. Mork , A. -P. Jauho

The tunability of the bandgap, absorption and emission energies, photoluminescence (PL) quantum yield, exciton transport, and energy transfer in transition metal dichalcogenide (TMD) monolayers provides a new class of functions for a wide…

Strain is commonly used in metal-oxide-semiconductor technologies to boost on-state performance. This booster has been in production for at least a decade. Despite this, a systematic study of the impact of strain on off-state leakage…

Mesoscale and Nanoscale Physics · Physics 2025-02-03 Felipe Murphy-Armando , Chang Liu , Yi Zhao , Ray Duffy

Orthorhombic arsenene was recently predicted as an indirect bandgap semiconductor. Here, we demonstrate that nanostructuring arsenene into nanoribbons can successfully transform the bandgap to be direct. It is found that direct bandgaps…

Mesoscale and Nanoscale Physics · Physics 2015-02-06 Z. Y. Zhang , H. N. Cao , J. C. Zhang , Y. H. Wang , D. S. Xue , M. S. Si

The impact of femtosecond (fs) laser radiation on semiconductors with direct (ZnSe, GaAs, CdZnTe) band gap, with the structurally induced direct-to-indirect band gap transition (PbI2, GaSe) and indirect band gap (Si) has been studied. The…

Bilayers of transition-metal dichalcogenides show many exciting features, including long-lived interlayer excitons and wide bandgap tunability using strain. Not many investigations on experimental determinations of deformation potentials…

Although the direct or indirect nature of the bandgap transition is an essential parameter of semiconductors for optoelectronic applications, the understanding why some of the conventional semiconductors have direct or indirect bandgaps…

Materials Science · Physics 2019-01-02 Lin-Ding Yuan , Hui-Xiong Deng , Shu-Shen Li , Jun-Wei Luo , Su-Huai Wei

We derive first- and second-order piezoelectric coefficients for the zinc-blende III-V semiconductors, {Al,Ga,In}-{N,P,As,Sb}. The results are obtained within the Heyd-Scuseria-Ernzerhof hybrid-functional approach in the framework of…

Materials Science · Physics 2015-02-20 Miguel A. Caro , Stefan Schulz , Eoin P. O'Reilly

We report on the strong anisotropy of the inter-band process of impact ionization in direct-gap cubic semiconductors with either weak or strong spin-orbit coupling at low effective temperatures of electron distribution $T$, and the…

Mesoscale and Nanoscale Physics · Physics 2021-12-16 A. N. Afanasiev , A. A. Greshnov , G. G. Zegrya

Epitaxial strain provides a powerful, non-chemical route to tune the properties of functional materials by manipulating the coupling between spin, charge, and lattice degrees of freedom. Using density functional theory (DFT) calculations…

Strongly Correlated Electrons · Physics 2025-12-19 Sudip Mandal , Mihir Ranjan Sahoo , Kalpataru Pradhan

Bandgap control is of central importance for semiconductor technologies. The traditional means of control is to dope the lattice chemically, electrically or optically with charge carriers. Here, we demonstrate for the first time a widely…

Strain tuning is increasingly being recognized as a clean tuning parameter to induce novel behavior in quantum matter. Motivated by the possibility of straining graphene up to $20$ percent, we investigate novel quantum criticality due to…

Strongly Correlated Electrons · Physics 2017-08-30 S. Arya , M. S. Laad , S. R. Hassan

Strain engineering has arisen as a powerful technique to tune the electronic and optical properties of two-dimensional semiconductors like molybdenum disulfide (MoS2). Although several theoretical works predicted that biaxial strain would…

Applied Physics · Physics 2021-05-11 Felix Carrascoso , Riccardo Frisenda , Andres Castellanos-Gomez