{"title":"带边混合物工程巨人和可切换移位电流发生器","authors":"Yue Gao, Mengtong Yang, Wenli Zou, Jian Zhou, Chunmei Zhang","doi":"10.1021/acs.nanolett.4c03520","DOIUrl":null,"url":null,"abstract":"Two-dimensional materials have enormous development prospects in the bulk photovoltaic effect (BPVE). The enhancement and manipulation of the BPVE are some of the key roles of its various applications. Through a simplified Hamiltonian model, this work shows that a substantial band mixture between occupied and unoccupied states could produce a large optical absorption rate with trivial topological features, resulting in a significantly enhanced shift current generation. Furthermore, this mechanism is illustrated in a realistic C<sub>3</sub>B/C<sub>3</sub>N bilayer material based on density functional theory calculation and tight-binding model. As each layer of C<sub>3</sub>B/C<sub>3</sub>N is centrosymmetric, the in-plane shift current arises from the interfacial interaction. The electron transfer between the layers gives a controllable band mixture, which offers a giant shift current reaching over ∼1500 μA/V<sup>2</sup>. In addition, we propose that interlayer sliding could reverse the in-plane shift current. Our work suggests a feasible approach for giant and switchable nonlinear optical processes.","PeriodicalId":53,"journal":{"name":"Nano Letters","volume":null,"pages":null},"PeriodicalIF":9.6000,"publicationDate":"2024-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Band-Edge Mixture Engineered Giant and Switchable Shift Current Generation\",\"authors\":\"Yue Gao, Mengtong Yang, Wenli Zou, Jian Zhou, Chunmei Zhang\",\"doi\":\"10.1021/acs.nanolett.4c03520\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Two-dimensional materials have enormous development prospects in the bulk photovoltaic effect (BPVE). The enhancement and manipulation of the BPVE are some of the key roles of its various applications. Through a simplified Hamiltonian model, this work shows that a substantial band mixture between occupied and unoccupied states could produce a large optical absorption rate with trivial topological features, resulting in a significantly enhanced shift current generation. Furthermore, this mechanism is illustrated in a realistic C<sub>3</sub>B/C<sub>3</sub>N bilayer material based on density functional theory calculation and tight-binding model. As each layer of C<sub>3</sub>B/C<sub>3</sub>N is centrosymmetric, the in-plane shift current arises from the interfacial interaction. The electron transfer between the layers gives a controllable band mixture, which offers a giant shift current reaching over ∼1500 μA/V<sup>2</sup>. In addition, we propose that interlayer sliding could reverse the in-plane shift current. Our work suggests a feasible approach for giant and switchable nonlinear optical processes.\",\"PeriodicalId\":53,\"journal\":{\"name\":\"Nano Letters\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":9.6000,\"publicationDate\":\"2024-09-27\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Nano Letters\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://doi.org/10.1021/acs.nanolett.4c03520\",\"RegionNum\":1,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Nano Letters","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1021/acs.nanolett.4c03520","RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Band-Edge Mixture Engineered Giant and Switchable Shift Current Generation
Two-dimensional materials have enormous development prospects in the bulk photovoltaic effect (BPVE). The enhancement and manipulation of the BPVE are some of the key roles of its various applications. Through a simplified Hamiltonian model, this work shows that a substantial band mixture between occupied and unoccupied states could produce a large optical absorption rate with trivial topological features, resulting in a significantly enhanced shift current generation. Furthermore, this mechanism is illustrated in a realistic C3B/C3N bilayer material based on density functional theory calculation and tight-binding model. As each layer of C3B/C3N is centrosymmetric, the in-plane shift current arises from the interfacial interaction. The electron transfer between the layers gives a controllable band mixture, which offers a giant shift current reaching over ∼1500 μA/V2. In addition, we propose that interlayer sliding could reverse the in-plane shift current. Our work suggests a feasible approach for giant and switchable nonlinear optical processes.
期刊介绍:
Nano Letters serves as a dynamic platform for promptly disseminating original results in fundamental, applied, and emerging research across all facets of nanoscience and nanotechnology. A pivotal criterion for inclusion within Nano Letters is the convergence of at least two different areas or disciplines, ensuring a rich interdisciplinary scope. The journal is dedicated to fostering exploration in diverse areas, including:
- Experimental and theoretical findings on physical, chemical, and biological phenomena at the nanoscale
- Synthesis, characterization, and processing of organic, inorganic, polymer, and hybrid nanomaterials through physical, chemical, and biological methodologies
- Modeling and simulation of synthetic, assembly, and interaction processes
- Realization of integrated nanostructures and nano-engineered devices exhibiting advanced performance
- Applications of nanoscale materials in living and environmental systems
Nano Letters is committed to advancing and showcasing groundbreaking research that intersects various domains, fostering innovation and collaboration in the ever-evolving field of nanoscience and nanotechnology.