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HL: Fachverband Halbleiterphysik
HL 2: 2D Materials and Heterostructures: Photonic Aspects
HL 2.13: Talk
Monday, March 18, 2024, 12:45–13:00, EW 201
Strained Monolayer MoTe2 as a Photon Absorber in the Telecom Range — •Muhammad Sufyan Ramzan1 and Caterina Cocchi1,2 — 1Institut für Physik, Carl von Ossietzky Universität, 26129 Oldenburg, Germany. — 2Center for Nanoscale Dynamics (CeNaD), Carl von Ossietzky Universität, 26129 Oldenburg, Germany.
For the technological application of two-dimensional (2D) materials, it is of paramount importance to understand the interplay between their electronic and structural characteristics. Using density-functional theory, we study the impact of uniaxial strain on the electronic and optical properties of monolayer MoTe2[1]. Straining up to ± 10% along the armchair and zigzag direction of 2D sheet, we examine how the fundamental gap, the dispersion of the bands, the frontier states, and the charge distribution are affected. Under tensile strain, the system remains a semiconductor but a direct-to-indirect band gap transition occurs above 7%. Compressive strain, instead, is highly direction-selective. When it is applied along the armchair edge, the material remains a semiconductor, while along the zigzag direction a semiconductor-to-metal transition happens above |8|%. The characteristics of the fundamental gap and wave function distribution are also largely dependent on the strain direction, as demonstrated by a thorough analysis of the band structure and of the charge density. Additional calculations based on many-body perturbation theory confirm the ability of strained MoTe2 to absorb radiation in the telecom range, thus suggesting the application of this material as a photon absorber upon suitable strain modulation. [1]10.3390/nano13202740
Keywords: first-principle calculations; monolayer MoTe2; photon absorber; straintronics; Transition metal dichalcogenide