English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

Layered crystal Bi 2 O 2 Te has recently been found to have high electron mobility and excellent thermoelectric properties for technical applications; however, its other properties are not well studied yet. In this work, the electronic, elastic and optical properties of Bi 2 O 2 Te are systematically studied using the density functional method. The results indicate that Bi 2 O 2 Te is a narrow band gap semiconductor. The gap is formed by the Te 5p orbital at the top of the valence band and the Bi 6p orbital at the bottom of the conduction band. There are both ionic and covalent interactions within the Bi–O layers, and these layers are linked by the ionic Bi–Te bonds forming the crystal. Bi 2 O 2 Te is mechanically stable but anisotropic. It is easy to fracture along the  c  axis under shear stress. Its shear modulus is far smaller than its bulk modulus, so shape deformation is easier to occur than pure volume change. Its melting point is predicted to be 1284.0 K based on an empirical formula. The calculated refractive index at zero frequency reveals that Bi 2 O 2 Te is a negative uniaxial crystal with a birefringence of 0.51, making it a potential tuning material for optical application. The characteristics and origins of other optical properties are also discussed.

Density Functional Study of the Electronic, Elastic and Optical Properties of Bi 2 O 2 Te