We herein treat a bond-diluted mixed spin-5/2 and spin-1/2 transverse Ising polyhedral
chain in terms of the finite cluster approximation. The impact of the concentration p and the …

Electronic structure of strongly correlated transition metal oxides (TMOs) is a complex
phenomenon due to competing interaction among the charge, spin, orbital and lattice …

The electronic and magnetic properties of d 3.5 iridate Ba 3 LiIr 2 O 9 have been studied
using first-principles electronic structure calculations. The results of the calculations reveal …

We have carried out the ab initio density functional theory calculations to study the electronic
structure and magnetic properties of three dimensional antiferromagnetic system Cu 3 TeO …

The electronic and magnetic properties of transition metal oxyhalide compound Co 2 TeO 3
Cl 2 are investigated using first principle calculations within the framework of density …

Using first principles calculation in the framework of density functional theory we have
investigated the electronic structure, magnetism and ferroelectric polarization in the …

The detailed first principle density functional theory calculations are carried out to investigate
the electronic and magnetic properties of magnetoelectric compound Ca 2 CoSi 2 O 7. The …

ABSTRACT The compound Ca3Co2O6 undergoes a transition into a spin-density wave
(SDW) state near 24 K. Below∼ 10 K, this unstable SDW state coexists with a nearly …

Using first principle calculations under the framework of density functional theory we have
investigated the electronic structure, magnetism and ferroelectric polarization in the …