Bulletin of the American Physical Society
APS March Meeting 2024
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session MM05: V: General Magnetism I
5:30 AM–7:30 AM,
Thursday, March 7, 2024
Room: Virtual Room 05
Sponsoring
Unit:
GMAG
Chair: Hena Das, Tokyo Inst of Tech - Yokohama; Oleksandr Pylypovskyi, Helmholtz Zentrum Dresden-Rossendorf
Abstract: MM05.00001 : First-Principles Study of Europium Doping Effects on SmMnO3 Perovskite for Energy Conservation in Electronic Devices
5:30 AM–5:42 AM
Presenter:
Peshal Pokharel
(Central Department of Physics, Tribhuvan University)
Author:
Peshal Pokharel
(Central Department of Physics, Tribhuvan University)
Collaboration:
Shashit Kumar Yadav2, Nurapati Pantha1, Devendra Adhikari2
Central Department of Physics, Tribhuvan University, Kritipur, Nepal1,
Department of Physics, Mahendra Morang Adarsha Multiple Campus, T. U., Biratnagar2,
Peshal Pokharel 1,2,3, Shashit Kumar Yadav2, Nurapati Pantha1, Devendra Adhikari2
Central Department of Physics, Tribhuvan University, Kritipur, Nepal1,
Department of Physics, Mahendra Morang Adarsha Multiple Campus, T. U., Biratnagar2, Central Campus of Technology, Tribhuvan University, Dharan, Nepal3.
Abstract:
A perovskite compound SmMnO3 can be used in different fields due to its outstanding magnetic and electrical characteristics. The influence of various doping concentrations of europium (Eu) on SmMnO3 were investigated and explored its potential for energy conservation in electronic devices. The electronic, magnetic, and mechanical characteristics of both pristine and Eu-doped SmMnO3 were systematically analyzed using density functional theory calculations. Elastic parameters, including elastic constants, bulk modulus, shear modulus, and Young's modulus, were determined using the stress-strain method. Both pristine and Eu-doped SmMnO3 exhibited mechanical stability and ductile behavior, with an anisotropy factor greater than 1. To assess thermal behavior, the Debye temperature was calculated using average sound velocity analysis. The shear, bulk, Young's moduli of elasticity, and Debye temperature of this specimen tend to decrease almost linearly with the doping level of the specimen with Eu. The band gap of SmMnO3 was found to decrease from 2.72 eV to 0 eV when doping concentration of Eu was increased from 0 to 37.5%. The pure and doped SmMnO3 show the ferromagnetic behaviors and the magnetic moment changes with Eu doping; however, the relationship between the magnetic moment and the concentration of doping is not perfectly linear.
Keywords: Europium doping, electrical properties, magnetic properties, mechanical stability
References
[1] H. Inui, et. al., Mater. Trans., 63, 3, 394-401 (2022).
[2] B. Sahli, et. al., J. Alloys Compd.., 635, 163–172 (2015).
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