Thermoelectric properties of monolayer indium selenide (InSe) are investigated by using Boltzmann transport theory and first-principles calculations as a function of Fermi energy and crystal orientation. We find that the… Click to show full abstract
Thermoelectric properties of monolayer indium selenide (InSe) are investigated by using Boltzmann transport theory and first-principles calculations as a function of Fermi energy and crystal orientation. We find that the maximum power factor of p-type (n-type) monolayer InSe can be as large as 0.049 (0.043) W/K2m at 300 K in the armchair direction. The excellent thermoelectric performance of monolayer InSe is attributed to both its Seebeck coefficient and electrical conductivity. The large Seebeck coefficient originates from the moderate (about 2 eV) bandgap of monolayer InSe as an indirect gap semiconductor, while its large electrical conductivity is due to its unique two-dimensional density of states (DOS), which consists of an almost constant DOS near the conduction band bottom and a sharp peak near the valence band top.
               
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