We report a high-throughput ab-initio study of the thermodynamic and superconducting proper- ties recently synthesized XB$_3$C$_3$ clathrates. These compounds, in which boron carbon form sponge-like network interconnected cages each enclosing central X atom, are attractive candidates to achieve high-Tc conventional superconductivity at ambient pressure, due simultaneous presence stiff B-C coval...

Anti-site disorder is one of the most important issues that arises in synthesis double perovskite for spintronic applications. Although it known anti-site leads to a proliferation structural defects, as anti-phase boundaries separate ordered domains sample, little about magnetic correlation across these on microscopic level. Motivated by this, we report resonant elastic X-ray scattering study r...

We report optimized crystal growth conditions for the quarternary compound AgCrP$_2$S$_6$ by chemical vapor transport. Compositional and structural characterization of obtained crystals were carried out means energy-dispersive X-ray spectroscopy powder diffraction. is structurally closely related to $M_2$P$_2$S$_6$ family, which contains several compounds that are under investigation as 2D magn...

Magnetic two-dimensional materials have potential application in next-generation electronic devices and stimulated extensive interest condensed matter physics material fields. However, how to realize high-temperature ferromagnetism remains a great challenge physics. Herein, we propose an effective approach that the dimerization of magnetic ions can enhance exchange coupling stabilize ferromagne...

Hybrid transition metal oxides continue to attract attention due their multiple degrees of freedom ($e.g.$, lattice, charge, spin, and orbital) versatile properties. Here we investigate the magnetic electronic properties newly synthesized double perovskite Ba$_2$NiIrO$_6$, using crystal field theory, superexchange model analysis, density functional calculations, parallel tempering Monte Carlo (...

The properties of graphene-like BC$_6$N semiconductor are studied using density functional theory taking into account the attractive interaction between B and N atoms. In presence a strong dopant atoms, electron charge distribution is highly localized along B-N bonds, while for weaker electrons delocalized entire hexagonal ring BC$_6$N. Furthermore, when both atoms doped at same site hexagon, b...

In this paper, we present the spin-phonon coupling and dielectric response of nano-crystalline Pr$_2$CoMnO$_6$ employing Raman spectroscopic study. is a manganite compound , it undergoes paramagnetic to ferromagnetic (PM-FM) phase transition around $T_c$ $\sim$172 K. Temperature-dependent scattering experiment carried out across study behavior in material. The results from reveal an obvious sof...

The properties of graphene-like BC$_6$N semiconductor are studied using density functional theory taking into account the attractive interaction between B and N atoms. In presence a strong dopant atoms, electron charge distribution is highly localized along B-N bonds, while for weaker electrons delocalized entire hexagonal ring BC$_6$N. Furthermore, when both atoms doped at same site hexagon, b...

$S$ = 1/2 Ising kagome antiferromagnets (KAFs) are rare in reality. In this work, we report the magnetic ground state and field-induced transitions of an antiferromagnet with a stacked geometry, Na$_5$Co$_{15.5}$Te$_6$O$_{36}$. Upon cooling, susceptibility measurement reveals three successive at $T_1$ 45.2 K, $T_2$ 35.4 $T_3 \sim$ 20 K. When field is applied along $c$ axis, strikingly anomalous...