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Engineering Two-Dimensional Nodal Semimetals in Functionalized Biphenylene by Fluorine Adatoms
Seongjun Mo1, Jaeuk Seo2,3, Seok-Kyun Son4,5
1Department of Physics, Konkuk University, Seoul 05029, Korea.
Periodic fluorination of the biphenylene network creates tunable Dirac phases. This band engineering approach modifies electronic structures, enabling control over Dirac fermion types and semimetal properties.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Quantum Chemistry
Background:
- The biphenylene network is a novel carbon allotrope with unique electronic properties.
- Dirac fermions, particularly type-II, are of significant interest in condensed matter physics.
- Understanding band structures is crucial for designing new electronic materials.
Purpose of the Study:
- To propose and investigate a band engineering scheme for the biphenylene network.
- To explore the mechanism behind type-II Dirac fermion appearance in pristine biphenylene.
- To demonstrate the transformation of Dirac phases via periodic fluorination.
Main Methods:
- Theoretical investigation of electronic structures.
- Analysis of symmetry properties (mirror symmetry).
- Study of wave function interference and localization.
- Simulations involving varying fluorine concentrations.
Main Results:
- Identified mirror symmetries and destructive interference as key for type-II Dirac fermions.
- Observed stabilization of compact localized eigenstates leading to inclined Dirac dispersions.
- Demonstrated transformation from type-II Dirac semimetal to type-I Dirac, gapped type-II Dirac, and nodal line semimetals.
- Showcased tunability of electronic phases by controlling fluorine concentration.
Conclusions:
- Periodic fluorination is an effective strategy for band engineering the biphenylene network.
- Symmetry and wave function interference are critical for controlling Dirac fermion behavior.
- The biphenylene network can be tailored to host diverse Dirac electronic phases.
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