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PreprintCC BY-NC-ND 4.0arXiv

Lattice dynamics of disordered phases of silicon and spatially resolved computations of thermal conductivity

  • A. Gautam
  • C. Ugwumadu
  • L. A. M. Rosset
  • R. M. Tutchton
  • S. Nakhmanson
  • D. A. Drabold
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Abstract

The lattice dynamics of disordered systems (amorphous solids, polymers and glasses) are often distinct from crystalline analogues. Examples include the "two-level systems" and the Boson peak. Here, we show that even the venerable material amorphous silicon offers new wrinkles: (1) realistic networks studied with DFT-quality interatomic potentials show the existence of harmonic modes exhibiting anomalously large root-mean-square variation in atomic positions, and (2) these dynamics determine the processes of heat transport. We correlate the atomic dynamics with transport using the site-projected thermal conductivity [C. Ugwumadu et. al Phys. Status Solidi B 263, e202500316 (2026)], and conjecture that these observations are relevant to other disordered systems.

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Cite

BibTeXRIS
BibTeX
@misc{gautam2026lattice,
  title = {{Lattice dynamics of disordered phases of silicon and spatially resolved computations of thermal conductivity}},
  author = {A. Gautam and C. Ugwumadu and L. A. M. Rosset and R. M. Tutchton and S. Nakhmanson and D. A. Drabold},
  howpublished = {arXiv},
  year = {2026},
  month = oct,
  doi = {10.48550/arxiv.2610.10165},
  eprint = {2610.10165},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2610.10165},
  note = {CC BY-NC-ND 4.0},
}
RIS
TY  - UNPB
TI  - Lattice dynamics of disordered phases of silicon and spatially resolved computations of thermal conductivity
AU  - A. Gautam
AU  - C. Ugwumadu
AU  - L. A. M. Rosset
AU  - R. M. Tutchton
AU  - S. Nakhmanson
AU  - D. A. Drabold
PY  - 2026
DA  - 2026/10/07
PB  - arXiv
DO  - 10.48550/arxiv.2610.10165
UR  - https://arxiv.org/abs/2610.10165
AB  - The lattice dynamics of disordered systems (amorphous solids, polymers and glasses) are often distinct from crystalline analogues. Examples include the "two-level systems" and the Boson peak. Here, we show that even the venerable material amorphous silicon offers new wrinkles: (1) realistic networks studied with DFT-quality interatomic potentials show the existence of harmonic modes exhibiting anomalously large root-mean-square variation in atomic positions, and (2) these dynamics determine the processes of heat transport. We correlate the atomic dynamics with transport using the site-projected thermal conductivity [C. Ugwumadu et. al Phys. Status Solidi B 263, e202500316 (2026)], and conjecture that these observations are relevant to other disordered systems.
ER  -