Native point defects of semiconducting layered Bi₂O₂Se.

ABSTRACT: Bi₂O₂Se is an emerging semiconducting, air-stable layered material (Nat. Nanotechnol. 2017, 12, 530; Nano Lett. 2017, 17, 3021), potentially exceeding MoS₂ and phosphorene in electron mobility and rivalling typical Van der Waals stacked layered materials in the next-generation high-speed and low-power electronics. Holding the promise of functional versatility, it is arousing rapidly growing interest from various disciplines, including optoelectronics, thermoelectronics and piezoelectronics. In this work, we comprehensively study the electrical properties of the native point defects in Bi₂O₂Se, as an essential step toward understanding the fundamentals of this material. The defect landscapes dependent on both Fermi energy and the chemical potentials of atomic constituents are investigated. Along with the bulk defect analysis, a complementary inspection of the surface properties, within the simple context of charge neutrality level model, elucidates the observed n-type characteristics of Bi₂O₂Se based FETs. This work provides important guide to engineer the defects of Bi₂O₂Se for desired properties, which is key to the successful application of this emerging layered material²⁷.

SUBMITTER: Li H 

PROVIDER: S-EPMC6053437 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature