Related papers: Comparison between experiment and calculated band …
Structural and electronic properties of pristine and transition metal doped ZnS monolayer are investigated within the framework of density functional theory. The pristine ZnS monolayer is showing direct band gap of about 2.8 eV. The…
The electronic structure and chemical bonding of wurtzite-GaN investigated by N 1s soft x-ray absorption spectroscopy and N K, Ga M1, and Ga M2,3 emission spectroscopy is compared to that of pure Ga. The measurements are interpreted by…
Magnetic semiconductors may soon improve the energy efficiency of computers, but materials exhibiting these dual properties remain underexplored. Here, we report the computational prediction and realization of a new magnetic and…
The LnSbTe (Ln = Lanthanides) family, like isostructural ZrSiS type compounds, has emerged as a fertile playground for exploring the interaction of electronic correlations and magnetic ordering with the nodal line band topology. Here, we…
Based on geometry optimization and magnetic structure investigations within density functional theory, unique uranium nitride fluoride UNF, isoelectronic with UO2, is shown to present peculiar differentiated physical properties. Such…
We have investigated the electronic structure of the dilute magnetic semiconductor (DMS) $Ga_{0.98}Mn_{0.02}P$ and compared it to that of an undoped $GaP$ reference sample, using hard X-ray photoelectron spectroscopy (HXPS) and hard X-ray…
Nitrogen vacancy doped SmN$_{1-\delta}$ is a semiconductor which lies in the intermediary between insulating-ferromagnetic SmN and metallic-anti-ferromagnetic Sm. The dopant electrons resulting from nitrogen vacancies have recently been…
The electronic and magnetic structures of A2CrN3 (A = Ce, U) ternary compounds calculated based on band magnetism within DFT exhibit different behaviors of the nf elements (n = 4, 5 resp.). Charge analysis allows to formally express the two…
The bandstructure of the zinc-blende phase of AlN, GaN, InN is calculated employing the exact-exchange (EXX) Kohn-Sham density-functional theory and a pseudopotential plane-wave approach. The cation semicore d electrons are treated both as…
We have investigated the electronic structure of the $p$-type diluted magnetic semiconductor In$_{1-x}$Mn$_x$As by photoemission spectroscopy. The Mn 3$d$ partial density of states is found to be basically similar to that of…
Magnetic topological semimetals LnSbTe (Ln = lanthanide elements) provide a platform to study the interplay of structure, magnetism, topology, and electron correlations. Varying Sb and Te compositions in LnSbxTe2-x can effectively control…
The electronic structure of the poly-pyridine conjugated polymer has been investigated by resonant and nonresonant inelastic X-ray scattering and X-ray absorption spectroscopies using synchrotron radiation. The measurements were made for…
We present an experimental study of the electronic structure of MnSi. Using X-ray Absorption Spectroscopy, X-ray photoemission and X-ray fluorescence we provide experimental evidence that MnSi has a mixed valence ground state. We show that…
The electronic structure of the transparent semiconductor In2O3 has been studied by angle resolved photoemission spectroscopy upon deposition of metallic indium and also tin on the surface of the semiconductor. By deposition of metallic…
We have performed density functional calculations on the group II-IV nitride MgSiN$_{2}$. At a pressure of about 20~GPa the ground state wurtzite derived MgSiN$_{2}$ structure (LP-MgSiN$_{2}$) transforms into a rock-salt derived structure…
The transition-metal dichalcogenides (TMD) MoS2 and WS2 show remarkable electromechanical properties. Strain modifies the direct band gap into an indirect one, and substantial strain even induces an semiconductor-metal transition. Providing…
The rare-earth monopnictide (REM) family, which hosts magnetic ground states with extreme magnetoresistance, has established itself as a fruitful playground for the discovery of interesting topological phases. Here, by using high-resolution…
SmN is a ferromagnetic semiconductor with the unusual property of an orbital-dominant magnetic moment that is largely cancelled by an antiparallel spin contribution, resulting in a near-zero net moment. However, there is a basic gap in the…
Manganese-doped tin telluride, Sn(1-x)Mn(x)Te, initially investigated as diluted magnetic semiconductor, has recently attracted considerable attention as a prospective thermoelectric material. The introduction of Mn was found to modify the…
ARPES experiments on iron based superconductors show that the differences between the measured and calculated electronic band structures look insignificant but can be crucial for understanding of the mechanism of high temperature…