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Atomistic Simulation of Temperature Dependent Magnetic Properties of Hole Doped 2H-VSe2 Bilayer

Journal of Magnetics, Volume 28, Number 1, 31 Mar 2023, Pages 34-37
Haq Siraj (Pukyong National University), Jisang Hong * (Pukyong National University)
Abstract
Density functional theory calculations provide very accurate physical quantities at zero Kelvin. Nonetheless, it
is necessary to understand how the physical quantities are changed at finite temperatures for real device
application purposes. Here, we investigate the finite temperature dependent magnetic properties of hole doped
2H-VSe2 bilayer structure using atomistic simulation. We find that the Curie temperature of 600 K at the hole
concentration of 2.27×1020 cm-3, and this is enhanced to 620 K at the hole concentration of 3.01×1020 cm-3. We
fit the temperature dependent magnetization curve (M(T)) using both Curie-Bloch and Kuz’min equations. We
also calculate temperature dependent magnetic anisotropy energy. We find that the magnetic anisotropy energy
is almost linearly decreased with increasing temperature. Besides, we obtain that the normalized temperature
dependent anisotropy constant [K(T)/K(0)] shows the relation to the temperature dependent magnetization
curve of [M(T)/M(0)] 2.9, and this is well converged with the exponent of 2.9 in the Callen-Callen theory.
Keywords: atomistic simulation; temperature dependency; 2D VSe2
DOI: https://doi.org/10.4283/JMAG.2023.28.1.034
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