ArticleMolecules (Basel, Switzerland)2023
Opening a Band Gap in Biphenylene Monolayer via Strain: A First-Principles Study.
Article in Molecules (Basel, Switzerland), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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2 citing papers in PubMed, 19 citations in OpenAlex.
- Semiconducting THO-CAdvanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Ferroelectric polarization reversals in CFrontiers in chemistry · 2023Article
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Authors and funding
6 authors at 3 institutions in 1 country.
Funding
Abstract
A biphenylene network is a novel 2D allotropy of carbon with periodic 4-6-8 rings, which was synthesized successfully in 2021. In recent years, although the mechanical properties and thermal transport received a lot of research attention, how to open the Dirac cone in the band structure of a biphenylene network is still a confused question. In this work, we utilized uniaxial and biaxial lattice strains to manipulate the electronic properties and phonon frequencies of biphenylene, and we found an indirect band gap under 10% biaxial strain through the first-principles calculations. This indirect band gap is caused by the competition between the band-edge state A and the Dirac cone for the conduction band minimum (CBM). Additionally, the lightest carrier's effective mass in biphenylene is 0.184
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