| Thermoelectric and phonon transport properties of two-dimensional IV-VI compounds | |||||
| 작성자 | 김** | 작성일 | 2018-08-30 | 조회수 | 81 |
|---|---|---|---|---|---|
|
Journal Article published 30 Mar 2017 in Scientific Reports volume 7 issue 1
Authors: Aamir Shafique, Young-Han Shin *Abstract We explore the thermoelectric and phonon transport properties of two-dimensional monochalcogenides (SnSe, SnS, GeSe, and GeS) using density functional theory combined with Boltzmann transport theory. We studied the electronic structures, Seebeck coefficients, electrical conductivities, lattice thermal conductivities, and figures of merit of these two-dimensional materials, which showed that the thermoelectric performance of monolayer of these compounds is improved in comparison compared to their bulk phases. High figures of merit (ZT) are predicted for SnSe (ZT?=?2.63, 2.46), SnS (ZT?=?1.75, 1.88), GeSe (ZT?=?1.99, 1.73), and GeS (ZT?=?1.85, 1.29) at 700?K along armchair and zigzag directions, respectively. Phonon dispersion calculations confirm the dynamical stability of these compounds. The calculated lattice thermal conductivities are low while the electrical conductivities and Seebeck coefficients are high. Thus, the properties of the monolayers show high potential toward thermoelectric applications. |
|||||