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Magnetism and superconductivity often compete for preeminence as a material's ground state, and in the right circumstances the fluctuating remains of magnetic order can induce superconducting pairing. The intertwining of the two on the…
Ab-initio results for structural and electronic properties of NaCl-type FeN are presented in a framework of plane-wave and ultrasoft pseudopotentials. Competition among different magnetic ordering is examined. We find the ferromagnetic…
We study the spin-1/2 XXZ model on the triangular lattice with a nearest neighbor antiferromagnetic Ising coupling $J_z>0$ and unfrustrated ($J_\perp<0$) or frustrated ($J_\perp>0$) kinetic terms in zero magnetic field. Incorporating…
Ruthenium-based perovskite systems are attractive because their Structural, electronic and magnetic properties can be systematically engineered. SrRuO$_3$/SrTiO$_3$ superlattice, with its period consisting of one unit cell each, is very…
We report results of the first studies on the magnetic and transport properties of a new material CeNiBi_2. The magnetic susceptibility exhibits a sharp peak at T_N = 6K, indicating an antiferromagnetic phase transition. This…
The recently studied material FeCrAs exhibits a surprising combination of experimental signatures, with metallic, Fermi liquid like specific heat but resistivity showing strong non-metallic character. The Cr sublattice posseses local…
The ground state structures of the A$_x$B$_{1-x}$C wurtzite (WZ) alloys with $x=$0.25, 0.5, and 0.75 are revealed by a ground state search using the valence-force field model and density-functional theory total energy calculations. It is…
Zigzag graphene nanoribbons patterned on graphane are studied using spin-polarized ab initio calculations. We found that the electronic and magnetic properties of the graphene/graphane superlattice strongly depends on the degree of…
Artificially engineered superlattices were designed and fabricated to induce different growth mechanisms and structural characteristics. DC sputtering was used to grow ferromagnetic (La$_{0.8}$Ba$_{0.2}$MnO$_3$) / ferroelectric…
The Slater-Pauling rule states that L21 Heusler compounds with 24 valence electrons do never exhibit a total spin magnetic moment. In case of strongly localized magnetic moments at one of the atoms (here Mn) they will exhibit a fully…
The manganese induced magnetic, electrical and structural modification in InMnP epilayers, prepared by Mn ion implantation and pulsed laser annealing, are investigated in the following work. All samples exhibit clear hysteresis loops and…
We have synthesized ferromagnetic InMnP, a member of III-Mn-V ferromagnetic semiconductor family, by Mn ion implantation and pulsed laser annealing. Clear ferromagnetic hysteresis loops and a perpendicular magnetic anisotropy are observed…
We perform first-principles calculations based on density functional theory to study quasi one-dimensional edge-passivated (with hydrogen) zigzag graphene nanoribbons (ZGNRs) of various widths with chemical dopants, boron and nitrogen,…
We study a ferromagnetic instability in a doped single-band Hubbard model by means of dynamical mean-field theory with the continuous-time quantum Monte Carlo simulations. Examining the effect of the strong correlations in the system on the…
The search for non-centrosymmetric superconductors that may exhibit unusual physical properties and unconventional superconductivity has yielded the synthesis of a non-centrosymmetric phosphide Mg$_2$Rh$_3$P with an Al$_2$Mo$_3$C-type…
Historically, finding two-dimensional (2D) magnets is well known to be a difficult task due to instability against thermal spin fluctuations. Metals are also normally considered poor thermoelectric (TE) materials. Combining intrinsic…
It is shown that nearest-neighbor antiferromagnetic interactions of identical Ising spins on imbalanced bipartite lattice and imbalanced bipartite hierarchical fractal result in ferrimagnetic order instead of antiferromagnetic one. On some…
Nuclear magnetic resonance, electron paramagnetic resonance and magnetization measurements show that bulk Li$_x$ZnPc are strongly correlated one-dimensional metals. The temperature dependence of the nuclear spin-lattice relaxation rate…
We report the synthesis and physical characterization of single-crystalline Ce3MgBi5, a previously unexplored member of the Ce3MPn5 family. This compound crystallizes in the hexagonal P63/mcm structure, featuring an anisotropic Ce…
\textit{Ab-initio} calculations based on density functional theory (DFT) are performed to study the structural, electronic, and magnetic properties of two-dimensional (2D) free-standing honeycomb CrAs. We show that CrAs has low buckled…