Enhanced photogalvanic effect in the two-dimensional MgCl2/ZnBr2 vertical heterojunction by inhomogenous tensile stress
Liyu Qian,Juan Zhao,Yiqun Xie +2 more
Reads0
Chats0
TLDR
In this paper, an approach to largely enhance the photogalvanic effect (PGE) photocurrent by applying an inhomogenous mechanical stretch, based on quantum transport simulations, is proposed.Abstract:
The photogalvanic effect (PGE) occurring in noncentrosymmetric materials enables the generation of a dc photocurrent at zero bias with a high polarization sensitivity, which makes it very attractive in photodetection. However, the magnitude of the PGE photocurrent is usually small, leading to a low photoresponsivity, and therefore hampers its practical application in photodetection. Here, we propose an approach to largely enhancing the PGE photocurrent by applying an inhomogenous mechanical stretch, based on quantum transport simulations. We model a two-dimensional photodetector consisting of the wide-bandgap MgCl2/ZnBr2 vertical van der Waals heterojunction with the noncentrosymmetric C3v symmetry. Polarization-sensitive PGE photocurrent is generated under the vertical illumination of linearly polarized light. By applying inhomogenous mechanical stretch on the lattice, the photocurrent can be largely increased by up to 3 orders of magnitude due to the significantly increased device asymmetry. Our results propose an effective way to enhance the PGE by inhomogenous mechanical strain, showing the potential of the MgCl2/ZnBr2 vertical heterojunction in the low-power UV photodetection.read more
Citations
More filters
Journal ArticleDOI
A polarization-sensitive, self-powered, broadband and fast Ti3C2Tx MXene photodetector from visible to near-infrared driven by photogalvanic effects
Journal ArticleDOI
A polarization-sensitive, self-powered, broadband and fast Ti3C2Tx MXene photodetector from visible to near-infrared driven by photogalvanic effects
Journal ArticleDOI
Incident Angle Dependence of the Waveform of the Polarization-Sensitive Photoresponse in CuSe/Se Thin Film
TL;DR: In this paper , the authors studied the waveforms of longitudinal and transverse photocurrent pulses generated in thin, semitransparent CuSe/Se films as a function of the angle of incidence (α) of a femtosecond laser beam at linear and circular polarizations.
Journal ArticleDOI
Effect of vacancies on photogalvanic effect in two-dimensional WSe2 photodetector
TL;DR: In this paper , the role of different vacancies on the photogalvanic effect (PGE) photocurrent of a two-dimensional (2D) WSe2-based photodetector was investigated.
Journal ArticleDOI
Prediction of Photogalvanic Effect Enhancement in Janus Transition Metal Dichalcogenide Monolayers Induced by Spontaneous Curling
TL;DR: In this article , the spontaneous curvatures of Janus transition metal dichalcogenides (TMDs) are determined by molecular simulations and the spontaneous curling is induced by the relaxation of intrinsic strain in TMDs.
References
More filters
Journal ArticleDOI
Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
Journal ArticleDOI
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
Journal ArticleDOI
From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse,Daniel P. Joubert +1 more
TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
Journal ArticleDOI
Ab initio modeling of quantum transport properties of molecular electronic devices
Jeremy Taylor,Hong Guo,Jian Wang +2 more
TL;DR: In this paper, a self-consistent ab initio technique for modeling quantum transport properties of atomic and molecular scale nanoelectronic devices under external bias potentials was proposed, based on density functional theory using norm conserving nonlocal pseudopotentials to define the atomic core and nonequilibrium Green's functions (NEGF's) to calculate the charge distribution.
Journal ArticleDOI
Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
Nicolas Mounet,Marco Gibertini,Philippe Schwaller,Davide Campi,Andrius Merkys,Andrius Merkys,Antimo Marrazzo,Thibault Sohier,Ivano E. Castelli,Andrea Cepellotti,Giovanni Pizzi,Nicola Marzari +11 more
TL;DR: The largest available database of potentially exfoliable 2D materials has been obtained via high-throughput calculations using van der Waals density functional theory.