A hexagonal phase of BiCuTeO films: Growth, crystal structure, and thermoelectric properties
Abstract
In this work, a stable metallic phase of BiCuTeO has been identified in c-axis oriented films. Unlike the tetragonal structure observed in BiCuTeO bulks, this film exhibits a unique hexagonal layered structure, consisting of alternating Bi2O2 layers and Cu2Te2 layers along the c-axis, with lattice parameters of c = 12.45 Å and a = b = 4.3 Å. A potential crystal structure model for this hexagonal phase has been constructed using first-principles simulations. Calculations of the phonon spectra and electronic band structures confirm the validity of the hexagonally symmetric structure as well as its metallic nature. Due to its lower resistivity and appropriate Seebeck coefficient, the hexagonal BiCuTeO film achieves a power factor of 3.4–7.7 μW cm−1 K−2 within the temperature range of 300–600 K.
Article Details
Journal Info
Applied Physics Letters
American Institute of Physics
Authors (8)
Guoying Yan
Hebei Key Lab of Optic-Electronic Information Materials, The College of Physics Science and Technology, Hebei University , 071002 Baoding,
Xingkun Ning
Xingyuan San
Hebei Key Lab of Optic-electronic Information and Materials, the College of Physics Science and Technology
Xiao Zhang
Yipeng Luo
Hebei Key Lab of Optic-Electronic Information Materials, The College of Physics Science and Technology, Hebei University , 071002 Baoding,
Jianglong Wang
Ruining Wang
Hebei Key Lab of Optic-Electronic Information Materials, The College of Physics Science and Technology, Hebei University , Baoding 071002,
Shufang Wang