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Title: Electronic structures and magnetic stabilities of 2D Mn-doped GaAs nanosheets: The role of long-range exchange interactions and doping strategies

Abstract

We investigate the structural, electronic and magnetic properties of Mn atoms doped two-dimensional (2D) hexagonal GaAs nanosheets (GaAsNSs) using both first-principle calculations and Monte Carlo simulations. The first-principle molecular dynamics is first used to test the structural stability of Mn-doped GaAsNS ((Ga,Mn)AsNS). The analysis of spin-resolved electronic structures and determination of magnetic exchange interactions based on density functional theory (DFT) calculations reveals the existence of long-range exchange interaction in the system. Finally, Metropolis Monte Carlo simulation is employed to estimate Curie temperatures (T{sub C}s) of (Ga,Mn)AsNSs with different doping concentrations by different doping strategies. The results indicate that a T{sub C} up to 82 K can be obtained in regularly-doped (Ga,Mn)AsNSs and doping strategies have prominent impact on T{sub C}s of the systems, which emphasizes the importance of both long-range interactions and doping strategies in reduced dimensional diluted magnetic semiconductors (DMSs)

Authors:
; ;  [1];  [2]
  1. College of Physical science and Technology, Sichuan University, Chengdu 610064 (China)
  2. (China)
Publication Date:
OSTI Identifier:
22314348
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 116; Journal Issue: 8; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; COMPUTERIZED SIMULATION; CONCENTRATION RATIO; CURIE POINT; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; ELECTRONIC STRUCTURE; EXCHANGE INTERACTIONS; GALLIUM ARSENIDES; INTERACTION RANGE; MAGNETIC PROPERTIES; MAGNETIC SEMICONDUCTORS; MOLECULAR DYNAMICS METHOD; MONTE CARLO METHOD; NANOSTRUCTURES; STABILITY

Citation Formats

Lan, Mu, Xiang, Gang, E-mail: gxiang@scu.edu.cn, Zhang, Xi, E-mail: xizhang@scu.edu.cn, and Department of Physics and Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064. Electronic structures and magnetic stabilities of 2D Mn-doped GaAs nanosheets: The role of long-range exchange interactions and doping strategies. United States: N. p., 2014. Web. doi:10.1063/1.4894395.
Lan, Mu, Xiang, Gang, E-mail: gxiang@scu.edu.cn, Zhang, Xi, E-mail: xizhang@scu.edu.cn, & Department of Physics and Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064. Electronic structures and magnetic stabilities of 2D Mn-doped GaAs nanosheets: The role of long-range exchange interactions and doping strategies. United States. doi:10.1063/1.4894395.
Lan, Mu, Xiang, Gang, E-mail: gxiang@scu.edu.cn, Zhang, Xi, E-mail: xizhang@scu.edu.cn, and Department of Physics and Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064. Thu . "Electronic structures and magnetic stabilities of 2D Mn-doped GaAs nanosheets: The role of long-range exchange interactions and doping strategies". United States. doi:10.1063/1.4894395.
@article{osti_22314348,
title = {Electronic structures and magnetic stabilities of 2D Mn-doped GaAs nanosheets: The role of long-range exchange interactions and doping strategies},
author = {Lan, Mu and Xiang, Gang, E-mail: gxiang@scu.edu.cn and Zhang, Xi, E-mail: xizhang@scu.edu.cn and Department of Physics and Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064},
abstractNote = {We investigate the structural, electronic and magnetic properties of Mn atoms doped two-dimensional (2D) hexagonal GaAs nanosheets (GaAsNSs) using both first-principle calculations and Monte Carlo simulations. The first-principle molecular dynamics is first used to test the structural stability of Mn-doped GaAsNS ((Ga,Mn)AsNS). The analysis of spin-resolved electronic structures and determination of magnetic exchange interactions based on density functional theory (DFT) calculations reveals the existence of long-range exchange interaction in the system. Finally, Metropolis Monte Carlo simulation is employed to estimate Curie temperatures (T{sub C}s) of (Ga,Mn)AsNSs with different doping concentrations by different doping strategies. The results indicate that a T{sub C} up to 82 K can be obtained in regularly-doped (Ga,Mn)AsNSs and doping strategies have prominent impact on T{sub C}s of the systems, which emphasizes the importance of both long-range interactions and doping strategies in reduced dimensional diluted magnetic semiconductors (DMSs)},
doi = {10.1063/1.4894395},
journal = {Journal of Applied Physics},
number = 8,
volume = 116,
place = {United States},
year = {Thu Aug 28 00:00:00 EDT 2014},
month = {Thu Aug 28 00:00:00 EDT 2014}
}