Semiconductor Science and Technology · 2015 · 20 citations · 32 references
Natural SciencesMaterials SciencePhysicsElectronic MaterialsMaterials PhysicsSemiconductor MaterialsAb Initio MethodsElectronic Band StructureElectronic StructureElectronic Structure Of SolidsIi-vi SemiconductorsIii-v SemiconductorsBand GapBand Structure CalculationElectronic Structure AnalysisIndirect Band GapSurface StatesValence BandValence Band StructureValence Electronic Structure
The valence band electronic structure of GeSe single crystals has been investigated using angle resolved photoemission spectroscopy (ARPES) and x-ray photoelectron spectroscopy. The experimentally observed bands from ARPES, match qualitatively with our LDA-based band structure calculations along the Γ –Z, Γ –Y and Γ –T symmetry directions. The valence band maximum occurs nearly midway along the Γ –Z direction, at a binding energy of −0.5 eV, substantiating the indirect band gap of GeSe. Non-dispersive features associated with surface states and indirect transitions have been observed. The difference in hybridization of Se and Ge 4p orbitals leads to the variation of dispersion along the three symmetry directions. The predominance of the Se 4p z orbitals, evidenced from theoretical calculations, may be the cause for highly dispersive bands along the Γ –T direction. Detailed electronic structure analysis reveals the significance of the cation–anion 4p orbitals hybridization in the valence band dispersion of IV–VI semiconductors. This is the first comprehensive report of the electronic structure of a GeSe single crystal using ARPES in conjugation with theoretical band structure analysis.
32