Electronic phase transition in bilayer P6mmm borophene

• Published in: Physical chemistry chemical physics : PCCP Vol. 26; no. 27; pp. 18892 - 18897
• Main Authors: Hieu, Nguyen N, Phuc, Huynh V, Hoi, Bui D
• Format: Journal Article
• Language: English
• Published: Cambridge Royal Society of Chemistry 10.07.2024
• Subjects: Bilayers; Borophene; Cones; Dopants; Electric fields; Green's functions; Optoelectronics; Phase transitions
• ISSN: 1463-9076; 1463-9084; 1463-9084
• DOI: 10.1039/d4cp01484g

In this study, using the tight-binding model and Green's function technique, we investigate potential electronic phase transitions in bilayer P6mmm borophene under the influence of external stimuli, including a perpendicular electric field, electron–hole coupling between sublayers (excitonic effects), and dopants. Our focus is on key electronic properties such as the band structure and density of states. Our findings reveal that the pristine lattice is metal with Dirac cones around the Fermi level, where their intersection forms a nodal line. The system undergoes transitions to a semiconducting state – elimination of nodal line – with a perpendicular electric field and a semimetallic state – transition from two Dirac cones to a single Dirac cone – with combined electric field and excitonic effects. Notably, with these, the system retains its massless Dirac-like bands characteristic at finite energy. However, introducing a dopant still leads to a metallic phase, but the Dirac-like bands become massive. Considering all these effects, the system ultimately reaches a semiconducting phase with massive Dirac-like bands. These results hold significance for optoelectronic applications.