Exploring valleytronics in two-dimensional materials is of great significance for the development of advanced information devices. In this study, we investigate the valley polarization and electronic properties of V-doped 2H-phase Janus MoSeTe by using first-principles calculations. Our results reveal a remarkable valley spin splitting up to 60 meV, driven by the breaking of time-reversal symmetry due to the magnetic effect of V 3d orbitals. Additionally, we observe the anomalous valley Hall effect (AVHE) in the V-doped 2H-phase Janus MoSeTe monolayer, showcasing its potential for valleytronic applications. Importantly, we found that the valley polarization can be effectively modulated by applying external strain, with notable changes at different strain levels. These findings suggest that the V-doped 2H-phase Janus MoSeTe monolayer is an ideal material to design tunable, controllable valleytronic devices, offering new opportunities for the next generation of valley-based technologies.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1039/d4cp04412f | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Enhancing valley splitting and anomalous valley Hall effect in the V-doped Janus MoSeTe monolayer.
Phys Chem Chem Phys
January 2025
School of Physics and Electrical Engineering, Hubei Key Laboratory of Low Dimensional Optoelectronic Materials and Devices, Hubei Longzhong Laboratory, Hubei University of Arts and Science, Xiangyang, Hubei, 441053, China.
Exploring valleytronics in two-dimensional materials is of great significance for the development of advanced information devices. In this study, we investigate the valley polarization and electronic properties of V-doped 2H-phase Janus MoSeTe by using first-principles calculations. Our results reveal a remarkable valley spin splitting up to 60 meV, driven by the breaking of time-reversal symmetry due to the magnetic effect of V 3d orbitals.
View Article and Find Full Text PDFUnveiling the Mechanism of Spontaneous Nanoscroll Formation from Janus Transition Metal Dichalcogenide Nanoribbons.
ACS Appl Mater Interfaces
August 2024
State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications, Beijing 100876, China.
Due to the atomic asymmetry, Janus transition metal dichalcogenide monolayers possess spontaneous curling and can even form one-dimensional nanoscrolls. Unveiling this spontaneous formation mechanism of nanoscrolls is of great importance for precise structural control. In this paper, we successfully simulate the process of Janus MoSSe nanoscroll formation from flat nanoribbons, based on molecular dynamics (MD) simulations with hybrid potentials.
View Article and Find Full Text PDFAdsorption and Sensing of NO, SO, and NH on a Janus MoSeTe Monolayer Decorated with Transition Metals (Fe, Co, and Ni): A First-Principles Study.
Langmuir
September 2023
Liaoning Key Materials Laboratory for Railway, School of Materials Science and Engineering, Dalian Jiaotong University, Dalian 116028, Liaoning, China.
This paper reports the adsorption of toxic gases (NO, SO, and NH) on a MoSeTe structure based on first principles. It was found that the gas (NO, SO, and NH) adsorption on a pure MoSeTe monolayer was weak; however, the adsorption performance of these gas molecules on transition-metal-atom-supported MoSeTe monolayers (TM-MoSeTe) was better than that on pure MoSeTe monolayers. In addition, there was more charge transfer between gas molecules and TM-MoSeTe.
View Article and Find Full Text PDFTwist-assisted optoelectronic phase control in two-dimensional (2D) Janus heterostructures.
Sci Rep
August 2023
Department of Physics, Indian Institute of Technology Patna, Bihta, 801103, India.
Atomically thin two-dimensional (2D) Janus materials and their Van der Waals heterostructures (vdWHs) have emerged as a new class of intriguing semiconductor materials due to their versatile application in electronic and optoelectronic devices. Herein, We have invstigated most probable arrangements of different inhomogeneous heterostructures employing one layer of transition metal dichalcogenide, TMD (MoS, WS, MoSe, and WSe) piled on the top of Janus TMD (MoSeTe or WSeTe) and investigated their structural, electronic as well as optical properties through first-principles based calculations. After that, we applied twist engineering between the monolayers from 0[Formula: see text] 60[Formula: see text] twist angle, which delivers lattice reconstruction and improves the performance of the vdWHs due to interlayer coupling.
View Article and Find Full Text PDFComprehensive Study of Lithium Adsorption and Diffusion on Janus Mo/WXY (X, Y = S, Se, Te) Using First-Principles and Machine Learning Approaches.
ACS Appl Mater Interfaces
August 2021
Department of Physics, University of Maryland Baltimore County, 1000 Hilltop Circ., Baltimore, Maryland 21250, United States.
The structural asymmetry of two-dimensional (2D) Janus transition-metal dichalcogenides (TMDs) produces internal dipole moments that result in interesting electronic properties. These properties differ from the regular (symmetric) TMD structures that the Janus structures are derived from. In this study, we, first, examine adsorption and diffusion of a single Li atom on regular MX and Janus MXY (M = Mo, W; XY = S, Se, Te) TMD structures at various concentrations using first-principles calculations within density functional theory.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!