Multiple Electronic Phases Coexisting under Inhomogeneous Strains in the Correlated Insulator.
Sign Up to like & getrecommendations! Published in 2023 at "Advanced science"
DOI: 10.1002/advs.202300789
Abstract: Monolayer transition metal dichalcogenides (TMDs) can host exotic phenomena such as correlated insulating and charge-density-wave (CDW) phases. Such properties are strongly dependent on the precise atomic arrangements. Strain, as an effective tuning parameter in atomic… read more here.
Keywords: correlated insulator; multiple electronic; strain; insulator ... See more keywords
Multiple electronic state mechanism for carboryne reaction with benzene: A DFT study
Sign Up to like & getrecommendations! Published in 2017 at "International Journal of Quantum Chemistry"
DOI: 10.1002/qua.25372
Abstract: The multiple electronic state mechanisms of the reaction of carboryne with benzene were investigated by M11 calculations. Mechanisms leading to [4 + 2] cycloaddition product P4 + 2, [2 + 2] cycloaddition product P2 + 2, CC insert product PC-Cins and CH insert… read more here.
Keywords: multiple electronic; product; benzene; electronic state ... See more keywords
Band inversion induced multiple electronic valleys for high thermoelectric performance of SnTe with strong lattice softening
Sign Up to like & getrecommendations! Published in 2020 at "Nano Energy"
DOI: 10.1016/j.nanoen.2019.104395
Abstract: Abstract Band engineering has been under development as an efficient method to improve thermoelectric performance. However, except conventional methods like engineering the resonant states or band convergence, there is still no other effective way to… read more here.
Keywords: band inversion; multiple electronic; electronic valleys; band ... See more keywords