Title

Silver tellurides: Structural, elastic, and optical properties of AgTe and Ag₂Te

Authors

Jiajie Zhu, Shenzhen University
Ravindra Pandey, Michigan Technological UniversityFollow

Document Type

Article

Publication Date

12-28-2018

Abstract

In recent years, Ag-Te systems have attracted much attention because of their unique properties of relatively large magnetoresistance and high electrical conductivity. In this article, we consider stoichiometric and silver-excess phases of silver telluride and report the structural, elastic, electronic, and optical properties obtained with density functional theory. Orthorhombic AgTe and monoclinic Ag₂Te exhibit nearly isotropic bulk and shear moduli, although the Young's modulus exhibits large anisotropy along crystalline axes. The calculated electronic properties show AgTe to be a direct band-gap semiconductor with high electron mobility and Ag₂Te to be nearly metallic. A larger anisotropy in both the real and the imaginary part of the dielectric function is predicted for AgTe relative to Ag₂Te, with the plasmon energies being 17.2 eV. The calculated results thus establish a structure-property relationship in defect-free silver tellurides.

Publisher's Statement

© 2019 Elsevier Ltd. Publisher's version of record: https://doi.org/10.1016/j.jpcs.2018.12.030

Publication Title

Journal of Physics and Chemistry Solids

Recommended Citation

Zhu, J., & Pandey, R. (2018). Silver tellurides: Structural, elastic, and optical properties of AgTe and Ag₂Te. Journal of Physics and Chemistry Solids, 129, 41-45. http://doi.org/10.1016/j.jpcs.2018.12.030
Retrieved from: https://digitalcommons.mtu.edu/physics-fp/151