Cynthia Ihuoma Osuala, Tanu Choudhary, Raju K. Biswas, Sudin Ganguly, Chunlei Qu, Santanu K. Maiti
{"title":"Thermolectricity in irradiated bilayer graphene flakes","authors":"Cynthia Ihuoma Osuala, Tanu Choudhary, Raju K. Biswas, Sudin Ganguly, Chunlei Qu, Santanu K. Maiti","doi":"arxiv-2409.10380","DOIUrl":null,"url":null,"abstract":"We present a comprehensive study on enhancing the thermoelectric (TE)\nperformance of bilayer graphene (BLG) through irradiation with arbitrarily\npolarized light, focusing on $AA$- and $AB$-stacked configurations with zigzag\nedges. Utilizing a combination of tight-binding theory and density functional\ntheory (DFT), we systematically analyze the impact of light irradiation on\nelectronic and phononic transport properties. Light irradiation alters the\nelectronic hopping parameters, creating an asymmetric transmission function,\nwhich significantly increases the Seebeck coefficient, thereby boosting the\noverall {\\it figure of merit} (FOM). For the phononic contribution, DFT\ncalculations reveal that $AB$-stacked BLG exhibits lower lattice thermal\nconductivity compared to $AA$-stacked, attributed to enhanced anharmonic\nscattering and phonon group velocity. The combined analysis shows that FOM\nexceeds unity in both stacking types, with notable improvements near the\nirradiation-induced gap. Additionally, we explore the dependence of FOM on the\nsystem dimensions and temperature, demonstrating that light-irradiated BLG\nholds great promise for efficient thermoelectric energy conversion and waste\nheat recovery. Our results show favorable responses over a wide range of\nirradiation parameters. These findings provide crucial insights into optimizing\nBLG for advanced TE applications through light-induced modifications.","PeriodicalId":501369,"journal":{"name":"arXiv - PHYS - Computational Physics","volume":"22 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"arXiv - PHYS - Computational Physics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/arxiv-2409.10380","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
We present a comprehensive study on enhancing the thermoelectric (TE)
performance of bilayer graphene (BLG) through irradiation with arbitrarily
polarized light, focusing on $AA$- and $AB$-stacked configurations with zigzag
edges. Utilizing a combination of tight-binding theory and density functional
theory (DFT), we systematically analyze the impact of light irradiation on
electronic and phononic transport properties. Light irradiation alters the
electronic hopping parameters, creating an asymmetric transmission function,
which significantly increases the Seebeck coefficient, thereby boosting the
overall {\it figure of merit} (FOM). For the phononic contribution, DFT
calculations reveal that $AB$-stacked BLG exhibits lower lattice thermal
conductivity compared to $AA$-stacked, attributed to enhanced anharmonic
scattering and phonon group velocity. The combined analysis shows that FOM
exceeds unity in both stacking types, with notable improvements near the
irradiation-induced gap. Additionally, we explore the dependence of FOM on the
system dimensions and temperature, demonstrating that light-irradiated BLG
holds great promise for efficient thermoelectric energy conversion and waste
heat recovery. Our results show favorable responses over a wide range of
irradiation parameters. These findings provide crucial insights into optimizing
BLG for advanced TE applications through light-induced modifications.