The electronic and magnetic properties of a material can be altered by strain engineering. We elucidate the strain dependence of electronic and magnetic properties in monolayer by varying the biaxial in-plane tensile strain from 1% to 8%. The magnetic ground state of the monolayer evolves from antiferromagnetic zigzag (AFM-ZZ) configuration to ferromagnetic (FM) under a biaxial in-plane tensile strain higher than 2%. In a strain-free state, the FM configuration has a direct bandgap of 0.54 eV, and the AFM-ZZ configuration has an indirect bandgap of 0.73 eV. The energy bandgap of the monolayer undergoes a change by the variation of the tensile strain. Furthermore, a detailed Monte Carlo simulation has been implemented to investigate the magnetic properties of the considered system for varying values of tensile strain. Temperature dependencies of the thermodynamic quantities of interest as functions of strains display strong evidence supporting the first-principles calculations within density functional theory. Our Monte Carlo findings also suggest that the Curie temperature of the monolayer tends to get higher up to 20.11 K with a tensile strain 8%, which means that applying a strain leads to getting a more stable FM ground state. In addition, we find that magnetocrystalline anisotropy in the monolayer can be controlled by the applied strain.
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28 February 2019
Research Article|
February 28 2019
Strain effects on electronic and magnetic properties of the monolayer : A first-principles and Monte Carlo study
Erol Vatansever
;
Erol Vatansever
1
Faculty of Science, Physics Department, Dokuz Eylül University
, Tınaztepe Campus, 35390 İzmir, Turkey
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Sevil Sarikurt
;
Sevil Sarikurt
1
Faculty of Science, Physics Department, Dokuz Eylül University
, Tınaztepe Campus, 35390 İzmir, Turkey
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Fatih Ersan
;
Fatih Ersan
2
Department of Physics, Adnan Menderes University
, Aydın 09010, Turkey
3
Department of Physics, University of Maryland–Baltimore County
, Baltimore, Maryland 21250, USA
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Yelda Kadioglu;
Yelda Kadioglu
2
Department of Physics, Adnan Menderes University
, Aydın 09010, Turkey
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Olcay Üzengi Aktürk;
Olcay Üzengi Aktürk
4
Department of Electrical and Electronic Engineering, Adnan Menderes University
, 09100 Aydın, Turkey
5
Nanotechnology Application and Research Center, Adnan Menderes University
, Aydın 09010, Turkey
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Yusuf Yüksel
;
Yusuf Yüksel
1
Faculty of Science, Physics Department, Dokuz Eylül University
, Tınaztepe Campus, 35390 İzmir, Turkey
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Can Ataca;
Can Ataca
3
Department of Physics, University of Maryland–Baltimore County
, Baltimore, Maryland 21250, USA
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Ethem Aktürk
;
Ethem Aktürk
a)
2
Department of Physics, Adnan Menderes University
, Aydın 09010, Turkey
5
Nanotechnology Application and Research Center, Adnan Menderes University
, Aydın 09010, Turkey
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Ümit Akıncı
Ümit Akıncı
b)
1
Faculty of Science, Physics Department, Dokuz Eylül University
, Tınaztepe Campus, 35390 İzmir, Turkey
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a)
Electronic mail: [email protected]
b)
Electronic mail: [email protected]
J. Appl. Phys. 125, 083903 (2019)
Article history
Received:
October 28 2018
Accepted:
February 10 2019
Citation
Erol Vatansever, Sevil Sarikurt, Fatih Ersan, Yelda Kadioglu, Olcay Üzengi Aktürk, Yusuf Yüksel, Can Ataca, Ethem Aktürk, Ümit Akıncı; Strain effects on electronic and magnetic properties of the monolayer : A first-principles and Monte Carlo study. J. Appl. Phys. 28 February 2019; 125 (8): 083903. https://doi.org/10.1063/1.5078713
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