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The structural, electronic, and dielectric (optical) properties of graphene-like 2D MgO monolayer have been explored through first-principles calculations under bi-axial tensile and compressive mechanical strain within a range of -10% to…

The dense Kondo lattice Ce$_5$CoGe$_2$ exhibits superconductivity once the magnetic ordering is suppressed by pressure. Here the ambient pressure magnetic state is investigated via magnetization, heat capacity, powder neutron diffraction,…

CoSe$_2$O$_5$ has a crystal structure consisting of zig-zag chains of edge shared CoO$_6$ octahedra running along the c axis, with the chains separated by Se$_2$O$_5^{2-}$ units. Magnetic susceptibility measurements indicate a transition at…

The angle-dependences of the magnetoresistance of two different isotopic substitutions (deuterated and undeuterated) of the layered organic superconductor \kappa-(ET)2Cu(NCS)2 are presented. The angle dependent magnetoresistance…

Understanding the magnetism and its possible correlations to the topological properties has emerged as a forefront and difficult topic in studying magnetic Weyl semimetals. Co$_{3}$Sn$_{2}$S$_{2}$ is a newly discovered magnetic Weyl…

This work reports the synthesis, structure and magnetic properties of the single crystal of a facile spin 1/2 one dimensional Heisenberg antiferromagnet bis(4-aminopyridinium) bis(oxalato)cuprate(II) dihydrate, (C 5 H 7 N 2 ) 2 [Cu(C 2 O 4…

Effects of the Co substitution have been observed on the structural, magnetic and magneto-transport properties of Fe2-xCoxMnSi alloy. Curie temperature (TC) and saturation magnetization (MS) of these alloys increased linearly with the Co…

We examine the structural properties of free standing II-VI and III-V semiconductors at the monolayer limit within first principle density functional theory calculations. A non-polar buckled structure was found to be favoured over a polar…

Systematic investigations of rare-earth ($R$) based intermetallic materials are a leading strategy to reveal the underlying mechanisms governing a range of physical phenomena, such as the formation of a Kondo lattice and competing…

We study a 2D mesoscopic ring with an anisotropic effective mass considering surface quantum confinement effects. Consider that the ring is defined on the surface of a cone, which can be controlled topologically and mapped to the 2D ring in…

Pronounced anisotropy of magnetic properties and complex magnetic order of a new oxi-halide compound Co7(TeO3)4Br6 has been investigated by powder and single crystal neutron diffraction, magnetization and ac susceptibility techniques.…

The CeT2Al10 family of orthorhombic compounds exhibits a very peculiar evolution from a Kondo-insulator (T: Fe) to an unconventional long-range magnetic order (T: Ru, Os). Inelastic neutron scattering experiments performed on single-crystal…

Electronic and thermoelectric properties of a two-dimensional MoS2 monolayer containing atomic defects are investigated using density functional theory. All the atomic defects have been found to exhibit endothermic nature. Electronic…

In this investigation, we conducted density functional theory simulations to explore the mechanical responses of single-layer GeP, GeAs, SiP and SiAs. In particular, we explored the possibility of band-gap engineering in these 2D structures…

We present the \emph{ab initio} calculation of the electronic structure and magnetic properties of Bi$_2$Fe$_4$O$_9$. This compound crystallizes in the orthorhombic crystal structure with the Fe$^{3+}$ ions forming the Cairo pentagonal…

In two-dimensional (2D) magnetic systems, large magnetic anisotropy is needed to stabilize the magnetic order according to Mermin-Wagner theorem. Based on density functional theory (DFT) calculations, we propose that the magnetic…

Ferromagnetic films with perpendicular magnetic anisotropy are of interest in spintronics and superconducting spintronics. Perpendicular magnetic anisotropy can be achieved in thin ferromagnetic multilayer structures, when the anisotropy is…

Atomically-thin magnetic crystals have been recently isolated experimentally, greatly expanding the family of two-dimensional materials. In this Article we present an extensive comparative analysis of the electronic and magnetic properties…

We successfully synthesize single crystals of the verdazyl radical $\alpha$-2,3,5-Cl$_3$-V. $Ab$ $initio$ molecular orbital calculations indicate that the two dominant antiferromagnetic interactions, $J_{\rm{1}}$ and $J_{\rm{2}}$ ($\alpha…

Motivated by the presence of competing magnetic interactions in the heavy fermion family Ce$TX_2$ ($T$ = transition metal, $X$ = pnictogen), here we study the novel parent compound CeCd$_{1-\delta}$Sb$_{2}$ by combining magnetization,…