Thermoelectric Enhancement via Electronic and Phononic Channels in Staggered and Non-Staggered Dimerized Quantum Ring
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| Format: | Preprint |
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2025
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| _version_ | 1866912766601723904 |
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| author | Bhattacharya, Ranjini Roy, Souvik |
| author_facet | Bhattacharya, Ranjini Roy, Souvik |
| contents | Harnessing the quantum coherence and tunability of molecular-scale structures, we theoretically explore thermoelectric transport in ring-shaped molecular junctions featuring dimerized hopping integrals. By engineering alternating strong and weak bonds in both staggered and non-staggered configurations, we reveal a marked transmission asymmetry that drives a substantial enhancement in the thermoelectric figure of merit, ZT. To further steer transport behavior, we introduce controlled aperiodicity via site-energy modulations in unit cell format governed by the Aubry-André-Harper (AAH) potential, a quasiperiodic landscape that enables tunable localization-delocalization transitions. This interplay between hopping dimerization and AAH-type disorder gives rise to energy filtering effects and a rich spectrum where extended and critical states coexist, amplifying the Seebeck coefficient while preserving finite electrical conductance. Through a comprehensive non-equilibrium Green's function analysis, we uncover how key device parameters, including disorder strength, dimerization amplitude, and lead-ring connectivity, collectively shape transport characteristics. Notably, asymmetric lead couplings are shown to enhance performance by leveraging quantum interference pathways. Our findings highlight a robust design strategy for optimizing nanoscale thermoelectric functionality, providing actionable insights for experimental realization in molecular electronic platforms. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2510_00571 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Thermoelectric Enhancement via Electronic and Phononic Channels in Staggered and Non-Staggered Dimerized Quantum Ring Bhattacharya, Ranjini Roy, Souvik Other Condensed Matter Harnessing the quantum coherence and tunability of molecular-scale structures, we theoretically explore thermoelectric transport in ring-shaped molecular junctions featuring dimerized hopping integrals. By engineering alternating strong and weak bonds in both staggered and non-staggered configurations, we reveal a marked transmission asymmetry that drives a substantial enhancement in the thermoelectric figure of merit, ZT. To further steer transport behavior, we introduce controlled aperiodicity via site-energy modulations in unit cell format governed by the Aubry-André-Harper (AAH) potential, a quasiperiodic landscape that enables tunable localization-delocalization transitions. This interplay between hopping dimerization and AAH-type disorder gives rise to energy filtering effects and a rich spectrum where extended and critical states coexist, amplifying the Seebeck coefficient while preserving finite electrical conductance. Through a comprehensive non-equilibrium Green's function analysis, we uncover how key device parameters, including disorder strength, dimerization amplitude, and lead-ring connectivity, collectively shape transport characteristics. Notably, asymmetric lead couplings are shown to enhance performance by leveraging quantum interference pathways. Our findings highlight a robust design strategy for optimizing nanoscale thermoelectric functionality, providing actionable insights for experimental realization in molecular electronic platforms. |
| title | Thermoelectric Enhancement via Electronic and Phononic Channels in Staggered and Non-Staggered Dimerized Quantum Ring |
| topic | Other Condensed Matter |
| url | https://arxiv.org/abs/2510.00571 |