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This study investigates the strain-induced structural transitions of $\eta \leftrightarrow \theta$ and the changes in electronic band structures of Au$_2$X (X=S, Se, Te, Si, Ge) and Au$_4$SSe. We focus on Au$_2$S monolayers, which can form…

Materials Science · Physics 2023-06-23 Masahiro Fukuda , Taisuke Ozaki

Two-dimensional layered materials offer the possibility to create artificial vertically stacked structures possessing an additional degree of freedom - $the$ $interlayer$ $twist$. We present a comprehensive optical study of artificially…

Realizing flexible strain sensor with high sensitivity and tunable gauge factor is a challenge. To meet this challenge, we report an ionic liquid gated three-dimensional graphene field effect strain sensor. The charge carrier concentration…

Mesoscale and Nanoscale Physics · Physics 2021-07-23 Shideh Kabiri Ameri , Pramod K. Singh , Sameer R. Sonkusale

Twisted two-dimensional structures open new possibilities in band structure engineering. At magic twist angles, flat bands emerge, which give a new drive to the field of strongly correlated physics. In twisted double bilayer graphene dual…

Strain engineering is a powerful tool for tuning physical properties of 2D materials, including monolayer transition metal dichalcogenides (TMD) -- direct bandgap semiconductors with strong excitonic response. Here, we demonstrate an…

Intentional breaking of the lattice symmetry in solids is a key concept to alter the properties of materials by modifying their electronic band structure. However, the correlation of strain-induced effects and breaking of the lattice…

Materials Science · Physics 2021-10-27 M. Volpi , S. Beck , A. Hampel , H. Galinski , A. Sologubenko , R. Spolenak

We describe a facile technique based on polymer encapsulation to apply several percent controllable strains to monolayer and few-layer Transition Metal Dichalcogenides (TMDs). We use this technique to study the lattice response to strain…

In two-dimensional materials research, oxidation is usually considered as a common source for the degradation of electronic and optoelectronic devices or even device failure. However, in some cases a controlled oxidation can open the…

Layered materials such as graphite and transition metal dichalcogenides have extremely anisotropic mechanical properties owing to orders of magnitude difference between in-plane and out-of-plane interatomic interaction strengths. Although…

Materials Science · Physics 2017-11-10 Jae-Ung Lee , Sungjong Woo , Jaesung Park , Hee Chul Park , Young-Woo Son , Hyeonsik Cheong

Topological insulators are non-trivial quantum states of matter which exhibit a gap in the electronic structure of their bulk form, but a gapless metallic electronic spectrum at the surface. Here, we predict a uniaxial strain induced…

Materials Science · Physics 2015-06-22 Koushik Pal , Umesh V. Waghmare

Two-dimensional polyaniline monolayer (C3N) has been recently synthesized as an indirect semiconductor with high electron mobility. In this research, with combination of density functional theory and Green function formalism, we investigate…

Mesoscale and Nanoscale Physics · Physics 2019-02-06 Sahar Izadi Vishkayi , Meysam Bagheri Tagani

Charge density waves are ubiquitous phenomena in metallic transition metal dichalcogenides. In NbSe$_2$, a triangular $3\times3$ structural modulation is coupled to a charge modulation. Recent experiments reported evidence for a…

Materials Science · Physics 2020-03-16 Fabrizio Cossu , Krisztián Palotás , Sagar Sarkar , Igor Di Marco , Alireza Akbari

Through infrared spectroscopy, we systematically study the pressure effect on electronic structures of few-layer black phosphorus (BP) with layer number ranging from 2 to 13. We reveal that the pressure-induced shift of optical transitions…

Potential applications of monolayer of transition metal dichalcogenides (TMDs) in optoelectronic and flexible devices are under heavy investigation. Although TMDs monolayers are highly robust to external mechanical fields, their electronic…

Computational Physics · Physics 2021-09-14 Mohammad Bahmani , Michael Lorke , Mahdi Faghihnasiri , Thomas Frauenheim

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

Intercalation of lithium atoms between layers of 2D materials can alter their atomic and electronic structure. We investigate effects of Li intercalation in twisted bilayers of the transition metal dichalcogenide MoS$_2$ through…

Mesoscale and Nanoscale Physics · Physics 2020-09-30 Zheyu Lu , Stephen Carr , Daniel T. Larson , Efthimios Kaxiras

Electronic structures of wurtzite GaAs nanowires in the [0001] direction were studied using first-principles calculations. It was found that the band gap of GaAs nanowires experience a direct-to-indirect transition when the diameter of the…

Materials Science · Physics 2012-08-07 Andrew Copple , Nathaniel Ralston , Xihong Peng

Based on group theoretical arguments we derive the most general Hamiltonian for the $\text{Bi}_2\text{Se}_3$-class of materials including terms to third order in the wave vector, first order in electric and magnetic fields, first order in…

Materials Science · Physics 2018-09-11 Mathias Rosdahl Jensen , Jens Paaske , Anders Mathias Lunde , Morten Willatzen

Two-dimensional transition-metal dichalcogendes $MX_2$ (es. MoS$_2$, WS$_2$, MoSe$_2$, \ldots) are among the most promising materials for bandgap engineering. Widely studied in these compounds, by means of ab-initio techniques, is the…

Mesoscale and Nanoscale Physics · Physics 2019-01-25 L. Ortenzi , L. Pietronero , E. Cappelluti

Energy band realignment at the interfaces between materials in heterostructures can give rise to unique electronic characteristics and non-trivial low-dimensional charge states. In a homojunction of monolayer and multilayer MoS$_2$, the…

Materials Science · Physics 2017-07-21 Ying Jia , Teodor K. Stanev , Erik J. Lenferink , Nathaniel P. Stern