Fig. 3 Optimization of the antidot GNR structure.

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Presentation transcript:

Fig. 3 Optimization of the antidot GNR structure. Optimization of the antidot GNR structure. (A) Thermoelectric properties—ZT, P, and Rth—of the representative structures: pristine (black), periodic (blue), and optimal (red) structures. The values are normalized by those of the pristine structure. (B) Periodic (top) and optimal aperiodic (bottom) structures. (C and D) Phonon/electron transmission functions, Θph/el(ω), of the representative structures. The Fermi level is set to zero for Θel(E). (E) Θel(E) (orange) and DOS in the nanostructured region (green) near the energy levels corresponding to the peak μ for ZT, μpeak, of the periodic (top) and optimal (bottom) structures; μpeak = −0.140 and −0.105 eV, respectively, as indicated by dashed lines. The band edge of the edge state is located at E = −0.078 eV corresponding to that of the Van Hove singularity, and black arrows and their labels indicate resonant states. (F) LDOS distribution of the resonant states of the periodic (top) and optimal (bottom) structures. The resonant numbers correspond to those in (E). Masaki Yamawaki et al. Sci Adv 2018;4:eaar4192 Copyright © 2018 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC).