Composition dependent band offsets of ZnO and its ternary alloys
Sign Up to like & getrecommendations! Published in 2017 at "Scientific Reports"
DOI: 10.1038/srep41567
Abstract: We report the calculated fundamental band gaps of wurtzite ternary alloys Zn1−xMxO (M = Mg, Cd) and the band offsets of the ZnO/Zn1−xMxO heterojunctions, these II-VI materials are important for electronics and optoelectronics. Our calculation is based… read more here.
Keywords: composition dependent; ternary alloys; offsets zno; dependent band ... See more keywords
Surface-dependent band structure variations and bond-level deviations in Cu2O
Sign Up to like & getrecommendations! Published in 2021 at "Inorganic Chemistry Frontiers"
DOI: 10.1039/d1qi00733e
Abstract: New DFT calculations revealed notable variations in the band gap, bond length and bond geometry in different planes of Cu2O, which helped in understanding its various facet-dependent behaviors. read more here.
Keywords: dependent band; bond; structure variations; variations bond ... See more keywords