Related papers: Electronic structure and Magnetism in BaMn$_2$As$_…

We present results of LDA calculations (band structure, densities of states, Fermi surfaces) for possible iron based superconductor BaFe2Se3 (Ba123) in normal (paramagnetic) phase. Results are briefly compared with similar data on prototype…

Two organic conducting materials, where unusual aspects of their composition play important roles, are explored: beta''-(BEDT-TTF)2SF5XSO3 which exhibits superconductivity, or a metal-insulator transition (for X=CH2CF2 or CHF respectively),…

Structural, magnetic, and dielectric properties of Sm$_2$CoMnO$_6$ have been studied. X-ray diffraction and Rietveld analysis show that the sample crystallizes in the monoclinic structure with \textit{P2$_1$/n} space group. Magnetic study…

Recently, $\mathrm{BaSn_2}$ is predicted to be a strong topological insulator by the first-principle calculations. It is well known that topological insulator has a close connection to thermoelectric material, such as $\mathrm{Bi_2Te_3}$…

We have studied the local electronic structure of LaMn0.5Co0.5O3 using soft-x-ray absorption spectroscopy at the Co-L_3,2 and Mn-L_3,2 edges. We found a high-spin Co^{2+}--Mn^{4+} valence state for samples with the optimal Curie…

The problem of importance of strong correlations for the electronic structure, transport and magnetic properties of half--metallic ferromagnetic CrO_2 is addressed by performing density functional electronic structure calculations in the…

Magnetism, when combined with an unconventional electronic band structure, can give rise to forefront electronic properties such as the quantum anomalous Hall effect, axion electrodynamics, and Majorana fermions. Here we report the…

We investigate the electronic structure and magnetism of half-Heusler compounds XYZ (X, Y=V, Cr, Mn, Fe, Co and Ni; Z=Al, Ga, In, Si, Ge, Sn, P, As, and Sb) using the ab initio density functional theory calculations. Nine half-metals with…

BaNi2As2 is a superconductor chemically related to the Fe-based superconductors, with a complex and poorly understood structural phase transition. We show based on first principles calculations that in fact there are two distinct competing…

We present a brief review of experimental and theoretical papers on studies of electron transport and magnetic properties in manganese-based compounds Mn$_2$YZ and Mn$_3$Z (Y = V, Cr, Fe, Co, Ni, etc.; Z = Al, Ge, Sn, Si, Pt, etc.). It has…

The filling of the large van der Waals gap in Transition Metal Dichalcogenides (TMDs) often leads to lattice and electronic instabilities, which prelude the onset of a rich phenomenology. Here, we investigate the electronic structure of the…

Exotic quantum phenomena often emerge near an electronic delocalization transition (EDT) from an antiferromagnetic insulating phase to a strongly correlated metallic state under pressure. We report the pressure-induced structural and…

Ce$_{3}$Bi$_{4}$Au$_{3}$ crystallizes in the same non-centrosymmetric cubic structure as the prototypical Kondo insulator Ce$_{3}$Bi$_{4}$Pt$_{3}$. Here we report the physical properties of Ce$_{3}$Bi$_{4}$Au$_{3}$ single crystals using…

We report synthesis and single crystal measurements of magnetic, transport and thermal properties of single crystalline BaCo$_2$As$_2$ as well as first principles calculations of the electronic structure and magnetic behavior. These results…

Heusler compounds form a numerous class of intermetallics, which include two families of compositions ABC and AB2C, usually referred to as half- and full-Heusler compounds, respectively. Given their tunable electronic properties, made…

By combining the electronic structures obtained from first principles calculations with Boltzmann transport theory we have investigated the electronic, magnetic and transport properties of Co$_{2}$MnGe Heusler compound. The density of…

The detailed nature of electronic states mediating ferromagnetic coupling in dilute magnetic semiconductors, specifically (Ga,Mn)As, has been an issue of long debate. Two confronting models have been discussed emphasizing host band vs.…

Understanding the mechanisms that drive spontaneous rotational symmetry breaking in correlated electron systems is a central challenge in condensed matter physics. Although such symmetry breaking phases have been studied in low-dimensional…

We investigate the properties of BaNi$_2$As$_2$ using first principles calculations. The band structure has a similar shape to that of the BaFe$_2$As$_2$, and in particular shows a pseudogap between a manifold of six heavy $d$ electron…

We investigate the electronic structure of EuFe$_{2}$As$_{2}$ using optical spectroscopy and first-principles calculations. At low temperature we observe the evolution of \textit{two} gap-like features, one having a BCS mean-field behavior…