Electronic and magnetic properties of magnetoelectric compound Ca^sub 2^CoSi^sub 2^O^sub 7^: An ab initio study

The detailed first principle density functional theory calculations are carried out to investigate the electronic and magnetic properties of magnetoelectric compound Ca2CoSi2O7. The magnetic properties of this system are analyzed by calculating various hopping integrals as well as exchange interacti...

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Bibliographic Details
Published in:Journal of magnetism and magnetic materials 2018-05, Vol.453, p.114
Main Author: Chakraborty, Jayita
Format: Article
Language:English
Subjects:
Anisotropy
Crystal oscillators
Density functional theory
Exchanging
First principles
Magnetic properties
Magnetism
Mathematical analysis
Optical properties
Phase transitions
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Summary:The detailed first principle density functional theory calculations are carried out to investigate the electronic and magnetic properties of magnetoelectric compound Ca2CoSi2O7. The magnetic properties of this system are analyzed by calculating various hopping integrals as well as exchange interactions and deriving the relevant spin Hamiltonian. The dominant exchange path is visualized with Wannier functions plotting. Only intra planer nearest neighbor exchange interaction is strong in this system. The magnetocrystalline anisotropy is calculated for this system, and the results of the calculation reveal that the spin quantization axis lies in the ab plane.
ISSN:0304-8853
1873-4766