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Atomistic Simulation of Temperature Dependent Magnetic Properties of Hole Doped 2H-VSe2 Bilayer
Haq Siraj,Jisang Hong 한국자기학회 2023 Journal of Magnetics Vol.28 No.1
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.
Siraj-ul-Islam,Fazal-i-Haq,Ikram A. Tirmizi 한국전산응용수학회 2010 Journal of applied mathematics & informatics Vol.28 No.3
A Numerical scheme based on collocationmethod using quartic B-spline functions is designed for the numerical solution of one-dimensional modified equal width wave (MEW) wave equation. Using Von-Neumann approach the scheme is shown to be unconditionally stable. Performance of the method is validated through test problems including single wave,interaction of two waves and use of Maxwellian initial condition. Using error norms L2 and L1 and conservative properties of mass, momentum and energy, accuracy and efficiency of the suggested method is established through comparison with the existing numerical techniques.
Islam, Siraj-Ul,Haq, Fazal-I,Tirmizi, Ikram A. The Korean Society for Computational and Applied M 2010 Journal of applied mathematics & informatics Vol.28 No.3
A Numerical scheme based on collocation method using quartic B-spline functions is designed for the numerical solution of one-dimensional modified equal width wave (MEW) wave equation. Using Von-Neumann approach the scheme is shown to be unconditionally stable. Performance of the method is validated through test problems including single wave, interaction of two waves and use of Maxwellian initial condition. Using error norms $L_2$ and $L_{\infty}$ and conservative properties of mass, momentum and energy, accuracy and efficiency of the suggested method is established through comparison with the existing numerical techniques.