Two new lanthanide-based 3D metal–organic frameworks (MOFs),{[Ln (L)(Ox)(H2O)] n· x
H2O}[Ln= Gd3+ and x= 3 (1) and Dy3+ and x= 1.5 (2); H2L= mucic acid; OxH2= oxalic acid] …

In the current paper, we present a non-aqueous sol–gel synthesis of olivine type LiCo1−
xFexPO4 compounds (x= 0.00, 0.25, 0.50, 0.75, 1.00). The magnetic properties of the …

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 …

We have studied the electronic structure and magnetism of the spin chain compounds Ca 3
ZnMnO 6 and Ca 3 ZnCoO 6 using density functional theory with generalised gradient …

The structure, electronic, and magnetic properties have been investigated by the first-
principles calculations for paramagnetic, ferromagnetic, and antiferromagnetic Cu 3 TeO 6 …

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