Optimizing thermoelectric performance of carbon-doped h-BN monolayers through tuning carrier concentrations and magnetic field.

ABSTRACT: The thermoelectric properties of carbon-doped monolayer hexagonal boron nitride (h-BN) are studied using a tight-binding model employing Green function approach and the Kubo formalism. Accurate tight-binding parameters are obtained to achieve excellent fitting with Density Functional Theory results for doped h-BN structures with impurity type and concentration. The influence of carbon doping on the electronic properties, electrical conductivity, and heat capacity of h-BN is studied, especially under an applied magnetic field. Electronic properties are significantly altered by doping type, concentration, and magnetic field due to subband splitting, merging of adjacent subbands, and band gap reduction. These modifications influence the number, location, and magnitude of DOS peaks, generating

SUBMITTER: Behzad S 

PROVIDER: S-EPMC10638448 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature