Quaternary Cu2HgGeSe4 selenide: Its electronic and optical properties as elucidated from TB-mBJ band-structure calculations and XPS and XES measurements
B.V. Gabrelian, A.A. Lavrentyev, Tuan V. Vu, V.A. Tkach, О.V. Marchuk, K.F. Kalmykova, L.N. Ananchenko, O.V. Parasyuk, О.Y. Khyzhun
Topics & Concepts
Density functional theoryChemistryX-ray photoelectron spectroscopyElectronic structureSelenideValence (chemistry)Electronic band structureTime-dependent density functional theoryDensity of statesComputational chemistryMolecular physicsAtomic physicsCondensed matter physicsNuclear magnetic resonancePhysicsOrganic chemistrySeleniumChalcogenide Semiconductor Thin FilmsQuantum Dots Synthesis And PropertiesCopper-based nanomaterials and applications