Phonon Angular Momentum Calculations for Te, LiNbO3, and Rb2Se3

A 14.4 KB ZIP file contains first-principles phonon dispersions, eigenvectors, and temperature-dependent, mode-resolved line widths for three materials: chiral Te, multibranch LiNbO3, and strongly anharmonic Rb2Se3. The dataset, authored by Hong Sun and last updated in June 2026, supports the analysis of interband contributions to thermally driven phonon angular momentum. It includes a derived activation criterion and a minimal nanoribbon model for nanostructures.

Use Cases

• Modeling thermally driven phonon angular momentum based on first-principles phonon dispersions and eigenvectors.
• Comparing intraband and interband transport channels across distinct phonon landscapes described for Te, LiNbO3, and Rb2Se3.
• Investigating the role of finite line widths and spectral overlap in activating interband contributions.
• Applying the derived activation criterion to search for larger thermal Edelstein responses in complex crystals.
• Studying the effect of subband crowding and finite line widths on interband contributions in nanostructures using the included nanoribbon model.

Strengths

• Includes first-principles data for three distinct materials spanning different phonon landscapes.
• Provides temperature-dependent, mode-resolved line widths for detailed analysis.
• Dataset is compact at 14.4 KB, facilitating quick download and inspection.

Limitations

• Row count and column-level documentation are absent, requiring manual inspection after download to understand data structure.
• The dataset's small size suggests it contains summary or model parameters rather than extensive raw simulation data.

Provenance

Source

figshare, author Hong Sun.

Collection Method

Likely generated from first-principles calculations and theoretical modeling.

Freshness

Last updated 2026-06-01 05:14:41; freshness should be verified.