AI Article Synopsis
- - Low-dimensional layered materials, like ZrSe monolayers, are gaining attention due to their unique physical and chemical properties and potential use in electronics.
- - The electronic transport properties of ZrSe are analyzed using first-principles methods, which include corrections for electron interactions and calculate carrier relaxation times through electron-phonon coupling.
- - The ZrSe monolayer shows a high power factor due to specific band structures and low thermal conductivity, allowing for a significant n-type ZT value of about 2.4 at 800 K, indicating strong thermoelectric performance.
Article Abstract
Low-dimensional layered materials have attracted tremendous attentions because of their wide range of physical and chemical properties and potential applications in electronic devices. Using first-principles method taking into account the quasi-particle self-energy correction and Boltzmann transport theory, the electronic transport properties of the ZrSe monolayer are investigated, where the carrier relaxation time is accurately calculated within the framework of electron-phonon coupling. It is demonstrated that the high power factor of the monolayer can be attributed to the grooved bands near the conduction band minimum. Combined with the low lattice thermal conductivity obtained by solving the phonon Boltzmann transport equation, a considerable n-type ZT value of ∼2.4 can be achieved at 800 K in the ZrSe monolayer.
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| http://dx.doi.org/10.1021/acsami.8b12843 | DOI Listing |
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