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pith:HZPPWQUQ

pith:2026:HZPPWQUQASFSBWXSJNK3EXIZQ4
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Structural, electronic, and optical properties of hexagonal GeSn from density functional theory

Andor Korm\'anyos, Guido Burkard, J\'anos Koltai, Yetkin Pulcu

2H-Ge1-xSnx alloys keep a direct bandgap at the Gamma point for all dilute tin levels, with strong bowing and giant polarization anisotropy.

arxiv:2605.13166 v1 · 2026-05-13 · cond-mat.mtrl-sci

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3 Author claim open · sign in to claim
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Claims

C1strongest claim

We show that 2H-Ge_{1-x}Sn_{x} maintains a direct bandgap at the Γ point across the studied composition range, exhibiting a strong bandgap bowing that shifts the fundamental absorption edge into the mid-infrared. Evaluation of the optical transition matrix elements reveals a giant polarization anisotropy dictated by spin-orbit coupling.

C2weakest assumption

The assumption that standard density functional theory functionals and 48-atom special quasirandom structure supercells accurately capture the bandgap bowing, optical matrix elements, and disorder effects in the random alloy without significant errors from the chosen exchange-correlation approximation.

C3one line summary

Hexagonal Ge1-xSnx alloys maintain a direct bandgap at Gamma with strong bowing and robust polarization anisotropy in the dilute Sn regime.

References

49 extracted · 49 resolved · 0 Pith anchors

[1] Based on this model, our calculations yield a crystal-field 4 A M L1.0 0.5 0.0 0.5 1.0 1.5 Energy (eV) 2H-Ge Ge0.9375Sn0.0625 0.0 0.2 0.4 0.6 0.8 1.0 Spectral Weight Figure 3
[2] Soref, The past, present, and future of silicon photon- ics, IEEE Journal of Selected Topics in Quantum Elec- tronics12, 1678 (2006) 2006
[3] D. A. Miller, Device requirements for optical intercon- nects to silicon chips, Proceedings of the IEEE97, 1166 (2009) 2009
[4] A. H. Atabaki, S. Moazeni, F. Pavanello, H. Gevorgyan, J. Notaros, L. Alloatti, M. T. Wade, C. Sun, S. A. Kruger, H. Meng,et al., Integrating photonics with sil- icon nanoelectronics for the next gene 2018
[5] Y. Han, H. Park, J. E. Bowers, and K. M. Lau, Recent advances in light sources on silicon, Advances in Optics and Photonics14, 404 (2022) 2022
Receipt and verification
First computed 2026-05-18T03:08:56.715366Z
Builder pith-number-builder-2026-05-17-v1
Signature Pith Ed25519 (pith-v1-2026-05) · public key
Schema pith-number/v1.0

Canonical hash

3e5efb4290048b20daf24b55b25d198728ac55ef0d04db539b11781a7425d07a

Aliases

arxiv: 2605.13166 · arxiv_version: 2605.13166v1 · doi: 10.48550/arxiv.2605.13166 · pith_short_12: HZPPWQUQASFS · pith_short_16: HZPPWQUQASFSBWXS · pith_short_8: HZPPWQUQ
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Verify this Pith Number yourself
curl -sH 'Accept: application/ld+json' https://pith.science/pith/HZPPWQUQASFSBWXSJNK3EXIZQ4 \
  | jq -c '.canonical_record' \
  | python3 -c "import sys,json,hashlib; b=json.dumps(json.loads(sys.stdin.read()), sort_keys=True, separators=(',',':'), ensure_ascii=False).encode(); print(hashlib.sha256(b).hexdigest())"
# expect: 3e5efb4290048b20daf24b55b25d198728ac55ef0d04db539b11781a7425d07a
Canonical record JSON
{
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    "cross_cats_sorted": [],
    "license": "http://creativecommons.org/licenses/by/4.0/",
    "primary_cat": "cond-mat.mtrl-sci",
    "submitted_at": "2026-05-13T08:28:55Z",
    "title_canon_sha256": "83736b799cecba18f942a4c3996f117c9a536dadfae566750135baf86eb2e476"
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