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The study aims to investigate the electronic, phonon, optical, and mechanical properties of AgBiTeSe for advanced applications.

February 5, 2026Advanced Physics ResearchOpen Access

First‐Principles Investigation of the Electronic, Phonon, Optical, and Elastic Properties of AgBiTeSe

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First-principles calculations reveal highly conductive and optically responsive properties of AgBiTeSe, indicating its potential uses.

The study aims to investigate the electronic, phonon, optical, and mechanical properties of AgBiTeSe for advanced applications.
Conducted first-principles calculations using density functional theory (DFT).
Analyzed electronic structure and band behavior at the Fermi level.
Examined phonon dynamics and mechanical characteristics.
Measured optical response in the UV-visible range.
AgBiTeSe exhibits metallic behavior with high carrier mobility.
Phonon dispersion indicates potential dynamic instability in the pristine structure.
Significant optical absorption observed with a peak at 2.5 × 10^5 cm−1.
Mechanical analysis confirms ductility and satisfies stability criteria.

Tanisa et al. (2026) studied this question.

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