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pith:FKS7UD2S

pith:2026:FKS7UD2SS5BDGBLWODK2FP7RS4
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Substitutional oxygen as the origin of the 3.5 eV luminescence in hexagonal boron nitride

Marek Maciaszek

Neutral oxygen substituting for nitrogen in hBN produces the 3.5 eV luminescence through hole capture and structural reconfiguration.

arxiv:2602.05253 v1 · 2026-02-05 · cond-mat.mtrl-sci

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4 Citations open
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Claims

C1strongest claim

Here, we demonstrate that this emission originates from hole capture by neutral oxygen substituting for nitrogen (ON). The transition mechanism is non-trivial, involving not only a change in charge state but also a substantial structural reconfiguration... The calculated emission energy (3.63 eV) and lineshape are in excellent agreement with experiment.

C2weakest assumption

The density functional theory calculations accurately capture the large structural reconfiguration between charge states and the resulting emission energy without significant errors from functional choice, supercell size, or other approximations in defect modeling.

C3one line summary

Substitutional oxygen replacing nitrogen (ON) in hBN produces the 3.5 eV luminescence via hole capture, with a calculated emission energy of 3.63 eV and lineshape matching experiment.

References

37 extracted · 37 resolved · 1 Pith anchors

[1] Quantum Optics Applications of Hexagonal Boron Nitride Defects 2025
[2] Mai, T. N. A.; Hossain, M. S.; Nguyen, N. M.; Chen, Y.; Chen, C.; Xu, X.; Trinh, Q. T.; Dinh, T.; Tran, T. T. Quantum Emitters in Hexagonal Boron Nitride: Principles, Engineering and Applications. Adv 2025 · doi:10.1002/adfm.202500714
[3] Quantum Emitters in Hexagonal Boron Nitride 2022
[4] Carbone, A.; De Mongex, D.-P. B.-F.; Krasheninnikov, A. V.; Wubs, M.; Huck, A.; Hansen, T. W.; Holleitner, A. W.; Stenger, N.; Kastl, C. Creation and microscopic origins of single- photon emitters in 2025
[5] K.; Binder, J.; Prozheev, I.; Tuomisto, F.; Iwański, J.; Tokarczyk, M.; Korona, K 2024

Formal links

2 machine-checked theorem links

Receipt and verification
First computed 2026-05-18T03:10:11.231279Z
Builder pith-number-builder-2026-05-17-v1
Signature Pith Ed25519 (pith-v1-2026-05) · public key
Schema pith-number/v1.0

Canonical hash

2aa5fa0f52974233057670d5a2bff197129d0f4dbe4d51f5eae72d08cc7a7b9d

Aliases

arxiv: 2602.05253 · arxiv_version: 2602.05253v1 · doi: 10.48550/arxiv.2602.05253 · pith_short_12: FKS7UD2SS5BD · pith_short_16: FKS7UD2SS5BDGBLW · pith_short_8: FKS7UD2S
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Verify this Pith Number yourself
curl -sH 'Accept: application/ld+json' https://pith.science/pith/FKS7UD2SS5BDGBLWODK2FP7RS4 \
  | 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: 2aa5fa0f52974233057670d5a2bff197129d0f4dbe4d51f5eae72d08cc7a7b9d
Canonical record JSON
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    "license": "http://creativecommons.org/licenses/by-nc-nd/4.0/",
    "primary_cat": "cond-mat.mtrl-sci",
    "submitted_at": "2026-02-05T03:14:27Z",
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