研究目的
Investigating the optical properties of single-layer buckled bismuthene (b-bismuthene) in different strains and its potential applications in bio photonics.
研究成果
Buckled bismuthene is a strain independent infrared (IR) reducer with potential applications in bio photonics. Its optical properties are reliable in experiment, making it useful for pharmaceuticals applications and bio photonics.
研究不足
The study is theoretical and based on simulations; experimental validation is needed. The optical properties are strain independent with good approximation, but synthesized b-bismuthene may have strain due to not perfect lattice matching and environmental conditions.
1：Experimental Design and Method Selection:
Density functional theory calculations were performed using the ABINIT simulation package with Perdew-Burke-Ernzerhof (PBE) exchange correlation and strong spin-orbit coupling (SOC).
2：Sample Selection and Data Sources:
The study focused on single-layer buckled bismuthene with strains classified into two regions: -6% to 4% and 6% to 12%.
3：2%.
List of Experimental Equipment and Materials:
3. List of Experimental Equipment and Materials: ABINIT simulation package, k-grid points set to 21×21×1, cut off electron kinetic energy of 150 Ryd, vacuum space of 30 ?.
4：Experimental Procedures and Operational Workflow:
Atomic positions were relaxed until forces converged to below 0.01 eV ??1, convergence energy in self-consistent calculations was 10-5 eV. Optical spectrums were calculated for light polarization parallel to the bismuthene’s sheet plane.
5：01 eV ??1, convergence energy in self-consistent calculations was 10-5 eV. Optical spectrums were calculated for light polarization parallel to the bismuthene’s sheet plane.
Data Analysis Methods:
5. Data Analysis Methods: The dielectric function, absorption, reflection, and electron energy loss function were calculated using specific relations provided in the paper.
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