First-principles DFT computation and X-ray spectroscopy study of the electronic band structure and optical constants of Cu2HgGeS4
Tuan V. Vu, A.A. Lavrentyev, B.V. Gabrelian, V.A. Tkach, Khang D. Pham, О.V. Marchuk, O.V. Parasyuk, О.Y. Khyzhun
Topics & Concepts
Density functional theoryChemistryValence (chemistry)Electronic structureSpectroscopyX-ray photoelectron spectroscopyElectronic band structureMolecular physicsAtomic physicsCondensed matter physicsComputational chemistryPhysicsNuclear magnetic resonanceQuantum mechanicsOrganic chemistryChalcogenide Semiconductor Thin FilmsZnO doping and propertiesQuantum Dots Synthesis And Properties