P. Murugan

P. Murugan
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P. Murugan

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Physics - Materials Science (2)

Publications Authored By P. Murugan

Based on first-principles density functional calculations, a general approach for determining and analyzing the degree of spin polarization (P) in ferromagnets is presented. The approach employs the so-called tetrahedron method to evaluate the Fermi surface integrations of P in both ballistic and diffusive regimes. The validity of the method is examined by comparing the calculated P values for Fe and Ni with the experiment. Read More

Using first-principles density functional calculations, we study the possible phases of CeMnNi$_{4}$ and show that the ground state is ferromagnetic. We observed the hexagonal phase to be lowest in energy whereas experimentally observed cubic phase lies slightly higher in energy. We optimized the structure in both phases and in all different magnetic states to explore the possibility of the structural and magnetic phase transitions at ground state. Read More