{"title":"Monolayer and bilayer BP as efficient optoelectronic materials in visible and ultraviolet regions","authors":"Somayeh Behzad","doi":"10.1016/j.rinp.2024.108048","DOIUrl":null,"url":null,"abstract":"<div><div>Hexagonal boron phosphide (BP) shows significant promise for optoelectronic applications due to its high carrier mobility and moderate band gap. Strain inevitably occurs during the synthesis of two-dimensional (2D) nanomaterials. In this work, a detailed study on the strain-dependent phonon dispersion and optical properties of monolayer and bilayer BP was performed. The calculated phonon dispersion curves demonstrate that both monolayer and bilayer BP systems remain dynamically stable under tensile strain. By increasing tensile strain, the LO and TO modes soften and the phonon band gap between optical and acoustic modes becomes narrower. The LO and TO modes display expanded phonon spectra under large tensile strains in contrast to the ZA mode. The absorption edge of bilayer BP is located around 0.6 eV, lower in energy with respect to the monolayer BP at ∼ 0.8 eV. The results indicate that the optical absorption may be enhanced by applying the compressive strain. With their broad absorption range and strain-tunable absorption strength and phononic properties, monolayer and bilayer BP are highly promising for next-generation nanodevices.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"67 ","pages":"Article 108048"},"PeriodicalIF":4.4000,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Results in Physics","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2211379724007332","RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Hexagonal boron phosphide (BP) shows significant promise for optoelectronic applications due to its high carrier mobility and moderate band gap. Strain inevitably occurs during the synthesis of two-dimensional (2D) nanomaterials. In this work, a detailed study on the strain-dependent phonon dispersion and optical properties of monolayer and bilayer BP was performed. The calculated phonon dispersion curves demonstrate that both monolayer and bilayer BP systems remain dynamically stable under tensile strain. By increasing tensile strain, the LO and TO modes soften and the phonon band gap between optical and acoustic modes becomes narrower. The LO and TO modes display expanded phonon spectra under large tensile strains in contrast to the ZA mode. The absorption edge of bilayer BP is located around 0.6 eV, lower in energy with respect to the monolayer BP at ∼ 0.8 eV. The results indicate that the optical absorption may be enhanced by applying the compressive strain. With their broad absorption range and strain-tunable absorption strength and phononic properties, monolayer and bilayer BP are highly promising for next-generation nanodevices.
六方磷化硼(BP)具有高载流子迁移率和中等带隙,因此在光电应用方面大有可为。二维(2D)纳米材料在合成过程中不可避免地会产生应变。在这项研究中,我们详细研究了单层和双层 BP 随应变变化的声子色散和光学特性。计算得出的声子频散曲线表明,单层和双层 BP 系统在拉伸应变下都能保持动态稳定。随着拉伸应变的增加,LO 和 TO 模式变软,光学和声学模式之间的声子带隙变窄。与ZA模式相比,LO和TO模式在大拉伸应变下显示出扩展的声子光谱。双层 BP 的吸收边缘位于 0.6 eV 左右,能量低于单层 BP 的 ∼ 0.8 eV。结果表明,施加压缩应变可以增强光吸收。单层和双层 BP 具有宽广的吸收范围、应变可调的吸收强度和声波特性,在下一代纳米器件中大有可为。
Results in PhysicsMATERIALS SCIENCE, MULTIDISCIPLINARYPHYSIC-PHYSICS, MULTIDISCIPLINARY
CiteScore
8.70
自引率
9.40%
发文量
754
审稿时长
50 days
期刊介绍:
Results in Physics is an open access journal offering authors the opportunity to publish in all fundamental and interdisciplinary areas of physics, materials science, and applied physics. Papers of a theoretical, computational, and experimental nature are all welcome. Results in Physics accepts papers that are scientifically sound, technically correct and provide valuable new knowledge to the physics community. Topics such as three-dimensional flow and magnetohydrodynamics are not within the scope of Results in Physics.
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