pith. sign in

arxiv: 2606.23334 · v1 · pith:A6AIIEW7new · submitted 2026-06-22 · ⚛️ physics.optics · cond-mat.mtrl-sci

Hexagonal Boron Nitride Spin Defects for Quantum Photonics: Annealing-Free Generation by Krypton Ion Implantation

Ikshvaku Shyam , Raj Singh , Mangababu Akkanaboina , A. M. Sonawane , Muthu Satheeshkumar , Amrita Majumder , Ekta , Janhavi Jayawant Khunte
show 6 more authors
Akash Khaire Kenji Watanabe Takashi Taniguchi Gopalan Rajaraman S. S. Dahiwale Anshuman Kumar
This is my paper

Pith reviewed 2026-06-26 07:07 UTC · model grok-4.3

classification ⚛️ physics.optics cond-mat.mtrl-sci
keywords hexagonal boron nitridespin defectskrypton ion implantationquantum photonicsnear-infrared photoluminescenceelectron paramagnetic resonancedensity functional theoryannealing-free defects
0
0 comments X

The pith

Krypton ion implantation generates stable room-temperature near-IR spin defects in hBN without annealing.

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

The paper shows that directing krypton ions into hexagonal boron nitride flakes creates luminescent defects that emit stably at room temperature in the near-infrared. The emission intensity grows directly with the number of implanted ions across a wide range, and the samples also display a paramagnetic response detected by electron spin resonance. Calculations link both signals to a particular pair of atomic defects. A sympathetic reader would care because this approach bypasses the usual high-temperature annealing that can destroy delicate device structures, offering a direct route to placing quantum emitters where they are needed.

Core claim

Kr+ ion implantation at 40 keV into hBN, performed without any pre- or post-implantation annealing, produces a stable near-infrared photoluminescence band centered at ~830 nm whose intensity increases with fluence over 10^11 to 10^15 ions/cm². The implanted material also shows an EPR signal with g-factor 2.003, and DFT calculations identify a spatially separated V_N-C_B donor-acceptor pair as a viable common origin for the observed optical and magnetic signatures. The PL linewidth broadens with temperature following a T^3 dependence, consistent with acoustic-phonon dephasing, while Raman spectra confirm irradiation-induced lattice disorder.

What carries the argument

Kr+ ion implantation into hBN flakes, with parameters chosen via SRIM Monte Carlo simulations, that directly introduces the lattice defects responsible for the near-IR luminescence and the g=2.003 paramagnetic center.

Load-bearing premise

The near-IR photoluminescence band and the EPR signal both originate from the same V_N-C_B donor-acceptor pair defect identified by the calculations.

What would settle it

Measuring whether the spatial map of 830 nm PL intensity across a single implanted flake matches the spatial distribution of the g=2.003 EPR signal strength would test whether the two signatures arise from the identical defect.

Figures

Figures reproduced from arXiv: 2606.23334 by Akash Khaire, Amrita Majumder, A. M. Sonawane, Anshuman Kumar, Ekta, Gopalan Rajaraman, Ikshvaku Shyam, Janhavi Jayawant Khunte, Kenji Watanabe, Mangababu Akkanaboina, Muthu Satheeshkumar, Raj Singh, S. S. Dahiwale, Takashi Taniguchi.

Figure 1
Figure 1. Figure 1: (d) shows an optical image of an hBN flake irra￾diated with a fluence of 1014 ions cm−2 . No discernible change in the optical appearance of the flake is observed after irradiation, indicating that Kr+ implantation does [PITH_FULL_IMAGE:figures/full_fig_p003_1.png] view at source ↗
Figure 2
Figure 2. Figure 2: FIG. 2 [PITH_FULL_IMAGE:figures/full_fig_p004_2.png] view at source ↗
Figure 3
Figure 3. Figure 3: (a) compares the PL spectra recorded at 300 K and 20 K from Kr+-implanted hBN. The low-temperature measurements were carried out in a cryogenic vacuum chamber equipped with quartz optical windows. In addi￾tion to the defect-related near-infrared emission, a broad background feature centred near 880 nm was observed, originating from the quartz optical path in the cryogenic setup. At low temperatures, spectr… view at source ↗
Figure 4
Figure 4. Figure 4: FIG. 4 [PITH_FULL_IMAGE:figures/full_fig_p007_4.png] view at source ↗
Figure 5
Figure 5. Figure 5: FIG. 5 [PITH_FULL_IMAGE:figures/full_fig_p008_5.png] view at source ↗
Figure 6
Figure 6. Figure 6: (b), the interaction energy maximum for boron vacancy formation reaches approximately 731.4 kcal mol−1 at 1.2 ˚A, whereas the corresponding maximum for nitro￾gen vacancy formation is significantly lower, peaking at [PITH_FULL_IMAGE:figures/full_fig_p009_6.png] view at source ↗
Figure 7
Figure 7. Figure 7: FIG. 7: (a) Calculated spin density isosurface of the [PITH_FULL_IMAGE:figures/full_fig_p010_7.png] view at source ↗
read the original abstract

Controlled, reproducible generation of luminescent defect centres in hBN remains a key challenge for scalable quantum-photonic technologies. Here, we report Kr$^{+}$ ion implantation as a tunable, annealing-free, and chemically inert route to room-temperature near-infrared luminescent spin defects in hBN, requiring no pre- or post-implantation annealing. SRIM Monte Carlo simulations were used to optimise the parameters for 40 keV Kr$^{+}$ irradiation of hBN flakes. The implanted samples exhibit a stable near-infrared photoluminescence (PL) band centred at $\sim$830 nm whose intensity increases with implantation fluence over $10^{11}$-$10^{15}$ions/cm$^{2}$. Temperature-dependent PL measurements (20-300 K) reveal a linewidth broadening well described by a $T^{3}$ dependence, consistent with acoustic-phonon-mediated dephasing. Raman spectra show the characteristic $E_{2g}$ mode of pristine hBN at $\sim$1366 cm$^{-1}$ alongside an implantation-induced defect feature at $\sim$1295 cm$^{-1}$, confirming irradiation-induced lattice disorder. Electron paramagnetic resonance (EPR) measurements reveal a paramagnetic centre with a $g$-factor of 2.003, and density functional theory (DFT) calculations indicate that a spatially separated $V_{\mathrm{N}}$-$C_{\mathrm{B}}$ donor-acceptor pair complex is a viable origin of the observed optical and magnetic signatures. Overall, Kr$^{+}$ implantation offers an effective, annealing-free, and scalable platform for generating stable room-temperature luminescent defects, providing a promising route toward quantum photonics.

Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, simulated authors' rebuttal, and a circularity audit. Tearing a paper down is the easy half of reading it; the pith above is the substance, this is the friction.

Referee Report

2 major / 2 minor

Summary. The manuscript claims that 40 keV Kr+ ion implantation into hBN, without pre- or post-annealing, generates stable room-temperature near-IR luminescent spin defects. PL intensity at ~830 nm scales with fluence (10^11–10^15 ions/cm²), linewidth follows T^3, Raman shows a ~1295 cm^{-1} defect mode, EPR yields g=2.003, and DFT identifies a spatially separated V_N-C_B donor-acceptor pair as the common origin, offering a scalable quantum-photonics platform.

Significance. If the optical, magnetic, and structural signatures are shown to arise from one defect, the annealing-free, chemically inert implantation route would be a practical advance for hBN-based quantum photonics. The work combines SRIM optimization, fluence-dependent PL, temperature-dependent linewidth, Raman, EPR, and DFT, providing a multi-technique experimental base.

major comments (2)
  1. [Abstract and PL/EPR results] The central assignment that the ~830 nm PL band and g=2.003 EPR signal originate from the same V_N-C_B defect is not supported by direct linkage. No fluence-dependent EPR spin-density data are shown to correlate with PL intensity, and no ODMR is reported to establish that the paramagnetic center is optically active at 830 nm (see Abstract and the PL/EPR results sections).
  2. [DFT calculations] The DFT claim that the spatially separated V_N-C_B pair accounts for both the observed optical transition (~1.5 eV) and the EPR g-factor requires quantitative comparison: calculated zero-phonon line or emission energy and g-tensor components should be shown to match experiment within stated uncertainties (DFT section).
minor comments (2)
  1. All PL, Raman, and EPR spectra and fluence plots should include error bars and explicit statements on baseline subtraction and background correction procedures.
  2. The manuscript should state the precise implantation energy, fluence values used for EPR, and any sample preparation details (e.g., flake thickness distribution) that affect SRIM predictions.

Simulated Author's Rebuttal

2 responses · 1 unresolved

We thank the referee for the careful and constructive review of our manuscript. We address each major comment below with honest responses based on the data presented.

read point-by-point responses

  1. Referee: [Abstract and PL/EPR results] The central assignment that the ~830 nm PL band and g=2.003 EPR signal originate from the same V_N-C_B defect is not supported by direct linkage. No fluence-dependent EPR spin-density data are shown to correlate with PL intensity, and no ODMR is reported to establish that the paramagnetic center is optically active at 830 nm (see Abstract and the PL/EPR results sections).

    Authors: We agree that direct linkage via ODMR or fluence-dependent EPR spin density would provide stronger evidence. The manuscript presents the V_N-C_B pair as a viable origin based on the observed g=2.003 matching literature values for similar defects, the fluence-dependent PL scaling, and supporting Raman/DFT results. We will revise the abstract and discussion sections to clarify that this is a candidate assignment supported by multi-technique consistency rather than a definitive identification from direct correlation. No new EPR or ODMR data can be added without additional experiments. revision: partial

  2. Referee: [DFT calculations] The DFT claim that the spatially separated V_N-C_B pair accounts for both the observed optical transition (~1.5 eV) and the EPR g-factor requires quantitative comparison: calculated zero-phonon line or emission energy and g-tensor components should be shown to match experiment within stated uncertainties (DFT section).

    Authors: We accept this point. The current DFT discussion describes the pair as viable without quantitative matching. In the revision we will add the calculated emission energy (including ZPL) and g-tensor values from our simulations, directly compared to the experimental 1.5 eV and g=2.003, with explicit discussion of DFT uncertainties for defect levels in hBN. revision: yes

standing simulated objections not resolved
  • Direct experimental linkage (fluence-dependent EPR or ODMR) between the PL band and EPR signal cannot be provided without new measurements outside the scope of this work.

Circularity Check

0 steps flagged

No circularity; experimental observations and DFT are independent

full rationale

The paper reports direct experimental results from Kr+ implantation (fluence-dependent PL at ~830 nm, Raman defect mode at ~1295 cm^{-1}, EPR at g=2.003) plus separate SRIM simulations for parameter choice and DFT modeling to suggest a V_N-C_B pair as a possible origin. None of these steps reduce a claimed prediction or first-principles result to the inputs by construction, nor rely on self-citation chains or fitted parameters renamed as outputs. The derivation chain is self-contained against external benchmarks with no load-bearing loops.

Axiom & Free-Parameter Ledger

2 free parameters · 1 axioms · 1 invented entities

Central claim rests on experimental observations plus DFT assignment of defect identity; implantation parameters are chosen via simulation rather than fitted to the optical data.

free parameters (2)
  • Implantation energy = 40 keV
    40 keV selected via SRIM to place ions at desired depth in hBN flakes.
  • Fluence values = 10^11 to 10^15 ions/cm^2
    Range 10^11-10^15 ions/cm^2 chosen to demonstrate intensity scaling.
axioms (1)
  • domain assumption SRIM Monte Carlo code accurately models Kr+ stopping and vacancy production in hBN
    Invoked to optimise irradiation parameters for 40 keV Kr+.
invented entities (1)
  • Spatially separated V_N-C_B donor-acceptor pair no independent evidence
    purpose: Proposed microscopic origin of the observed NIR PL and EPR signatures
    Identified by DFT as viable; no independent experimental structural confirmation provided in abstract.

pith-pipeline@v0.9.1-grok · 5903 in / 1449 out tokens · 31365 ms · 2026-06-26T07:07:31.502230+00:00 · methodology

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.

Reference graph

Works this paper leans on

82 extracted references

  1. [1]

    In compari- son, the T 5 and T 7 models yielded lower wR2 values of 0.536 and 0.411, respectively, together with higher AIC values of 23.96 and 29.30

    The T 3 model provided the best description of the experimental data, yielding a = 92.11±3.15 nm and b = (3.18±0.57)×10−6nm K−3, with a weighted coef- ficient of determination of wR2 = 0.729 and an Akaike Information Criterion (AIC) value of 15.66. In compari- son, the T 5 and T 7 models yielded lower wR2 values of 0.536 and 0.411, respectively, together ...

    2008

  2. [2]

    Quantum defects in two-dimensional van der waals materials.Fundamental Research, 2024

    Yang Guo, Jianmei Li, Ruifen Dou, Haitao Ye, and Changzhi Gu. Quantum defects in two-dimensional van der waals materials.Fundamental Research, 2024

    2024

  3. [3]

    Solid- state single-photon emitters.Nature photonics, 10(10):631– 641, 2016

    Igor Aharonovich, Dirk Englund, and Milos Toth. Solid- state single-photon emitters.Nature photonics, 10(10):631– 641, 2016

    2016

  4. [4]

    A perspective on solid-state quantum light sources: Materials and atomic defects.Nano Futures, May 2026

    Anuj Kumar KUMAR Singh, Parul Sharma, Kishor Ku- mar Mandal, Lekshmi Eswaramoorthy, and Anshuman Kumar. A perspective on solid-state quantum light sources: Materials and atomic defects.Nano Futures, May 2026

    2026

  5. [5]

    Atomically-thin single-photon sources for quantum communication.npj 2D Materials and Applications, 7(1):4, 2023

    Timm Gao, Martin von Helversen, Carlos Ant´ on-Solanas, Christian Schneider, and Tobias Heindel. Atomically-thin single-photon sources for quantum communication.npj 2D Materials and Applications, 7(1):4, 2023

    2023

  6. [6]

    Defects in hexagonal boron nitride for quantum technologies.arXiv preprint arXiv:2510.04344, 2025

    Tobias Vogl, Viktor Iv´ ady, Isaac J Luxmoore, and Han- nah L Stern. Defects in hexagonal boron nitride for quantum technologies.arXiv preprint arXiv:2510.04344, 2025

    arXiv 2025

  7. [7]

    Single photon sources in atomically thin materials.Annual review of physical chemistry, 70(1):123–142, 2019

    Milos Toth and Igor Aharonovich. Single photon sources in atomically thin materials.Annual review of physical chemistry, 70(1):123–142, 2019

    2019

  8. [8]

    Optical quantum technologies with hexagonal boron nitride single photon sources.Scientific reports, 11(1):12285, 2021

    Akbar Basha Dhu-al-jalali-wal-ikram Shaik and Penchala- iah Palla. Optical quantum technologies with hexagonal boron nitride single photon sources.Scientific reports, 11(1):12285, 2021

    2021

  9. [9]

    Defect and strain engineering of monolayer wse2 enables site-controlled single-photon emission up to 150 k.Nature communications, 12(1):3585, 2021

    Kamyar Parto, Shaimaa I Azzam, Kaustav Banerjee, and Galan Moody. Defect and strain engineering of monolayer wse2 enables site-controlled single-photon emission up to 150 k.Nature communications, 12(1):3585, 2021

    2021

  10. [10]

    H Kamada and T Kutsuwa. Broadening of single quan- tum dot exciton luminescence spectra due to interaction with randomly fluctuating environmental charges.Physi- cal Review B—Condensed Matter and Materials Physics, 78(15):155324, 2008

    2008

  11. [11]

    Electron-phonon processes of the nitrogen-vacancy center in diamond.Physical Review B, 92(8):081203, 2015

    Taras Plakhotnik, Marcus W Doherty, and Neil B Manson. Electron-phonon processes of the nitrogen-vacancy center in diamond.Physical Review B, 92(8):081203, 2015

    2015

  12. [12]

    Plasmonic-strain engineering of quantum emit- ters in hexagonal boron nitride.Advanced Materials In- terfaces, 12(13):2500071, 2025

    Anuj Kumar Singh, Utkarsh, Pablo Tieben, Kishor Ku- mar Mandal, Brijesh Kumar, Rishabh Vij, Amrita Ma- jumder, Ikshvaku Shyam, Shagun Kumar, Kenji Watan- abe, et al. Plasmonic-strain engineering of quantum emit- ters in hexagonal boron nitride.Advanced Materials In- terfaces, 12(13):2500071, 2025

    2025

  13. [13]

    Single defect centres in diamond: A review.physica status solidi (a), 203(13):3207– 3225, 2006

    Fedor Jelezko and J¨ org Wrachtrup. Single defect centres in diamond: A review.physica status solidi (a), 203(13):3207– 3225, 2006

    2006

  14. [14]

    Creation and nature of optical centres in diamond for single-photon emission—overview and critical remarks.New Journal of Physics, 13(3):035024, 2011

    S´ ebastien Pezzagna, Detlef Rogalla, Dominik Wildan- ger, Jan Meijer, and Alexander Zaitsev. Creation and nature of optical centres in diamond for single-photon emission—overview and critical remarks.New Journal of Physics, 13(3):035024, 2011

    2011

  15. [15]

    Defect inspection techniques in sic.Nanoscale Research Letters, 17(1):30, 2022

    Po-Chih Chen, Wen-Chien Miao, Tanveer Ahmed, Yi-Yu Pan, Chun-Liang Lin, Shih-Chen Chen, Hao-Chung Kuo, Bing-Yue Tsui, and Der-Hsien Lien. Defect inspection techniques in sic.Nanoscale Research Letters, 17(1):30, 2022

    2022

  16. [16]

    Hexagonal boron nitride is an indirect bandgap semicon- ductor.Nature photonics, 10(4):262–266, 2016

    Guillaume Cassabois, Pierre Valvin, and Bernard Gil. Hexagonal boron nitride is an indirect bandgap semicon- ductor.Nature photonics, 10(4):262–266, 2016

    2016

  17. [17]

    Quantum optics applications of hexagonal boron nitride defects.Advanced Optical Materials, 13(7):2402508, 2025

    AslıC ¸akan, Chanaprom Cholsuk, Angus Gale, Mehran Kianinia, Serkan Pa¸ cal, Serkan Ate¸ s, Igor Aharonovich, Milos Toth, and Tobias Vogl. Quantum optics applications of hexagonal boron nitride defects.Advanced Optical Materials, 13(7):2402508, 2025

    2025

  18. [18]

    Quantum emission from hexagonal boron nitride monolayers.Nature nanotechnol- ogy, 11(1):37–41, 2016

    Toan Trong Tran, Kerem Bray, Michael J Ford, Milos Toth, and Igor Aharonovich. Quantum emission from hexagonal boron nitride monolayers.Nature nanotechnol- ogy, 11(1):37–41, 2016

    2016

  19. [19]

    Near-deterministic activation of room-temperature quan- tum emitters in hexagonal boron nitride.Nature Com- munications, 9:165, 2018

    Nicholas Proscia, Geun Ho Ahn, Andreas W Schell, et al. Near-deterministic activation of room-temperature quan- tum emitters in hexagonal boron nitride.Nature Com- munications, 9:165, 2018

    2018

  20. [20]

    Defect formation in hbn by plasma and chemical treatment: mechanisms and photophysical properties.Applied Physics Letters, 126(3):031101, 2025

    Lukas Schaumburg et al. Defect formation in hbn by plasma and chemical treatment: mechanisms and photophysical properties.Applied Physics Letters, 126(3):031101, 2025

    2025

  21. [21]

    Wafer-scale integration of single- photon emitters in hbn using electron-beam activation

    Yuxuan Chen et al. Wafer-scale integration of single- photon emitters in hbn using electron-beam activation. Nano Letters, 24(7):4251–4259, 2024

    2024

  22. [22]

    Creation of spin-active quantum defects in hexagonal boron nitride by ion implantation

    Shanshan Guo et al. Creation of spin-active quantum defects in hexagonal boron nitride by ion implantation. ACS Omega, 7(2):1865–1873, 2022

    2022

  23. [23]

    Defect engineering in hexagonal boron ni- tride by ion implantation of b, bn, si, and o ions.Advanced Optical Materials, 10(8):2102491, 2022

    C Huang et al. Defect engineering in hexagonal boron ni- tride by ion implantation of b, bn, si, and o ions.Advanced Optical Materials, 10(8):2102491, 2022

    2022

  24. [24]

    Deterministic single-photon sources in hexagonal boron nitride with 15 electron-dose-tuned purity and reversible thermal quench- ing, 2026

    Amrita Majumder, Janhavi Khunte, Ikshvaku Shyam, Rohit Kumar, , and Anshuman Kumar. Deterministic single-photon sources in hexagonal boron nitride with 15 electron-dose-tuned purity and reversible thermal quench- ing, 2026

    2026

  25. [25]

    Deterministic single-photon emitter arrays in hexagonal boron nitride by carbon-assisted fo- cused ion beam engineering, 2026

    Mangababu Akkanaboina, Rohit Kumar, Brijesh Kumar, Hrushikesh Gawali, Parul Sharma, Ikshvaku Shyam, and Anshuman Kumar. Deterministic single-photon emitter arrays in hexagonal boron nitride by carbon-assisted fo- cused ion beam engineering, 2026

    2026

  26. [26]

    Schell, and Anshuman Kumar

    Anuj Kumar Singh, Utkarsh, Pablo Tieben, Kishor Ku- mar Mandal, Brijesh Kumar, Rishabh Vij, Amrita Ma- jumder, Ikshvaku Shyam, Shagun Kumar, Kenji Watan- abe, Takashi Taniguchi, Venu Gopal Achanta, Andreas W. Schell, and Anshuman Kumar. Plasmonic-strain engi- neering of quantum emitters in hexagonal boron nitride. Advanced Materials Interfaces, 12(13), 2025

    2025

  27. [27]

    Tailoring v− b and nbvn defect emission in hbn via ga implantation and thermal processing.Laser & Photonics Reviews, 18(3):2300973, 2024

    Gabriele Venturi, Mehran Kianinia, Milos Toth, et al. Tailoring v− b and nbvn defect emission in hbn via ga implantation and thermal processing.Laser & Photonics Reviews, 18(3):2300973, 2024

    2024

  28. [28]

    Controlled modification of hbn lumines- cence by helium-ion irradiation.Physica B: Condensed Matter, 659:415256, 2024

    Ivan Petrov et al. Controlled modification of hbn lumines- cence by helium-ion irradiation.Physica B: Condensed Matter, 659:415256, 2024

    2024

  29. [29]

    Photoluminescence, photochem- istry, and quantum efficiency of the negatively charged boron vacancy inh-bn.Physical Review B, 102(14):144105, 2020

    Jeffrey R Reimers et al. Photoluminescence, photochem- istry, and quantum efficiency of the negatively charged boron vacancy inh-bn.Physical Review B, 102(14):144105, 2020

    2020

  30. [30]

    James F Ziegler, Matthias D Ziegler, and Jochen P Bier- sack. Srim–the stopping and range of ions in matter (2010).Nuclear Instruments and Methods in Physics Re- search Section B: Beam Interactions with Materials and Atoms, 268(11-12):1818–1823, 2010

    2010

  31. [31]

    Primary radiation damage: A review of current understanding and models.Journal of Nuclear Materials, 512:450–479, 2018

    Kai Nordlund, Steven J Zinkle, Andrea E Sand, Fredric Granberg, Robert S Averback, Roger E Stoller, Tomoaki Suzudo, Lorenzo Malerba, Florian Banhart, William J Weber, et al. Primary radiation damage: A review of current understanding and models.Journal of Nuclear Materials, 512:450–479, 2018

    2018

  32. [32]

    Color centers in hexagonal boron nitride monolay- ers: a group theory and ab initio analysis.Acs Photonics, 5(5):1967–1976, 2018

    Mehdi Abdi, Jyh-Pin Chou, Adam Gali, and Martin B Plenio. Color centers in hexagonal boron nitride monolay- ers: a group theory and ab initio analysis.Acs Photonics, 5(5):1967–1976, 2018

    1967

  33. [33]

    Native point defects and impurities in hexagonal boron nitride.Physical Review B, 97(21):214104, 2018

    L Weston, Darshana Wickramaratne, M Mackoit, Audrius Alkauskas, and CG Van de Walle. Native point defects and impurities in hexagonal boron nitride.Physical Review B, 97(21):214104, 2018

    2018

  34. [34]

    Color centers in hexagonal boron nitride: emerging materials for quantum technologies.Nanomate- rials, 13(6):990, 2023

    Sungmin Kim, Anam Sajid, Jeffrey R Reimers, and Michael J Ford. Color centers in hexagonal boron nitride: emerging materials for quantum technologies.Nanomate- rials, 13(6):990, 2023

    2023

  35. [35]

    Low frequency raman spec- troscopy of few-atomic-layer thick hbn crystals.2D Ma- terials, 4(3):031003, 2017

    I Stenger, L Schu´ e, M Boukhicha, B Berini, B Pla¸ cais, A Loiseau, and J Barjon. Low frequency raman spec- troscopy of few-atomic-layer thick hbn crystals.2D Ma- terials, 4(3):031003, 2017

    2017

  36. [36]

    Lumi- nescence of non-bridging oxygen hole centers as a marker of particle irradiation of α-quartz.Radiation Measure- ments, 135:106373, 2020

    Linards Skuja, Nadege Ollier, and Koichi Kajihara. Lumi- nescence of non-bridging oxygen hole centers as a marker of particle irradiation of α-quartz.Radiation Measure- ments, 135:106373, 2020

    2020

  37. [37]

    Optically active oxygen-deficiency-related centers in amorphous silicon dioxide.Journal of NON- crystalline Solids, 239(1-3):16–48, 1998

    Linards Skuja. Optically active oxygen-deficiency-related centers in amorphous silicon dioxide.Journal of NON- crystalline Solids, 239(1-3):16–48, 1998

    1998

  38. [38]

    Computed op- tical absorption and photoluminescence spectra of neutral oxygen vacancies in α-quartz.Physical Review Letters, 79(4):753, 1997

    Gianfranco Pacchioni and Gianluigi Ieran` o. Computed op- tical absorption and photoluminescence spectra of neutral oxygen vacancies in α-quartz.Physical Review Letters, 79(4):753, 1997

    1997

  39. [39]

    Studying edge defects of hexagonal boron nitride using high-resolution electron energy loss spectroscopy

    Chang Tai Nai, Jiong Lu, Kai Zhang, and Kian Ping Loh. Studying edge defects of hexagonal boron nitride using high-resolution electron energy loss spectroscopy. The journal of physical chemistry letters, 6(21):4189–4193, 2015

    2015

  40. [40]

    Hexagonal boron nitride: optical prop- erties in the deep ultraviolet.Comptes Rendus

    Guillaume Cassabois, Adrien Rousseau, Christine Elias, Thomas Pelini, Phuong Vuong, Pierre Valvin, and Bernard Gil. Hexagonal boron nitride: optical prop- erties in the deep ultraviolet.Comptes Rendus. Physique, 22(S4):1–8, 2021

    2021

  41. [41]

    Electronic and optical properties of a hexagonal boron nitride monolayer in its pristine form and with point defects from first principles.Physical Review B, 106(4):045118, 2022

    Alexander Kirchhoff, Thorsten Deilmann, Peter Kr¨ uger, and Michael Rohlfing. Electronic and optical properties of a hexagonal boron nitride monolayer in its pristine form and with point defects from first principles.Physical Review B, 106(4):045118, 2022

    2022

  42. [42]

    Calculation of mode gr¨ uneisen parameters made simple.Physical Review Letters, 124(21):215501, 2020

    David Cuffari and Angelo Bongiorno. Calculation of mode gr¨ uneisen parameters made simple.Physical Review Letters, 124(21):215501, 2020

    2020

  43. [43]

    Vibrational properties in highly strained hexagonal boron nitride bubbles.Nano letters, 22(4):1525–1533, 2022

    Elena Blundo, Alessandro Surrente, Davide Spirito, Gior- gio Pettinari, Tanju Yildirim, Carlos Alvarado Chavarin, Leonetta Baldassarre, Marco Felici, and Antonio Polimeni. Vibrational properties in highly strained hexagonal boron nitride bubbles.Nano letters, 22(4):1525–1533, 2022

    2022

  44. [44]

    Raman signature and phonon dispersion of atomically thin boron nitride.Nanoscale, 9(9):3059–3067, 2017

    Qiran Cai, Declan Scullion, Aleksey Falin, Kenji Watan- abe, Takashi Taniguchi, Ying Chen, Elton JG Santos, and Lu Hua Li. Raman signature and phonon dispersion of atomically thin boron nitride.Nanoscale, 9(9):3059–3067, 2017

    2017

  45. [45]

    Damage buildup in multilayer hexagonal boron nitride films under ar ion bombardment.Scripta Materialia, 265:116756, 2025

    M Seo, LB Bayu Aji, SC Kim, YK Tzeng, AA Baker, FM O’Neill, S Chu, and SO Kucheyev. Damage buildup in multilayer hexagonal boron nitride films under ar ion bombardment.Scripta Materialia, 265:116756, 2025

    2025

  46. [46]

    The quantum theory of light.Physics Today, 27(8):48–48, 1974

    Rodney Loudon and Marlan O Scully. The quantum theory of light.Physics Today, 27(8):48–48, 1974

    1974

  47. [47]

    Photon antibunching in resonance fluorescence.Physical Review Letters, 39(11):691, 1977

    H Jeff Kimble, Mario Dagenais, and Leonard Mandel. Photon antibunching in resonance fluorescence.Physical Review Letters, 39(11):691, 1977

    1977

  48. [48]

    Temperature-dependent emission spectroscopy of quantum emitters in hexagonal boron nitride.ACS Photonics, 13(4):1176–1184, 2026

    Mouli Hazra, Manuel Rieger, Anand Kumar, Moham- mad N Mishuk, Chanaprom Cholsuk, Kabilan Sripathy, Viviana Villafa˜ ne, Kai Muller, Jonathan J Finley, and To- bias Vogl. Temperature-dependent emission spectroscopy of quantum emitters in hexagonal boron nitride.ACS Photonics, 13(4):1176–1184, 2026

    2026

  49. [49]

    Point defects in hexagonal boron nitride

    EY Andrei, A Katzir, and JT Suss. Point defects in hexagonal boron nitride. iii. epr in electron-irradiated bn. Physical review B, 13(7):2831, 1976

    1976

  50. [50]

    Electron spin resonance in carbon-doped boron nitride.Journal of Physics and Chemistry of Solids, 33(2):343–356, 1972

    AW Moore and LS Singer. Electron spin resonance in carbon-doped boron nitride.Journal of Physics and Chemistry of Solids, 33(2):343–356, 1972

    1972

  51. [51]

    In-plane modification of hexagonal boron nitride particles via plasma in solution

    Tsuyohito Ito, Taku Goto, Kenichi Inoue, Kenji Ishikawa, Hiroki Kondo, Masaru Hori, Yoshiki Shimizu, Yukiya Hakuta, and Kazuo Terashima. In-plane modification of hexagonal boron nitride particles via plasma in solution. Applied Physics Express, 13(6):066001, 2020

    2020

  52. [52]

    Initialization and read-out of intrinsic spin defects in a van der waals crystal at room temperature

    Andreas Gottscholl, Morteza Kianinia, Vladimir Solta- mov, Sergei Orlinskii, Gennady Mamin, Carlo Bradac, Clemens Kasper, Klaus Krambrock, Andreas Sperlich, Mi- los Toth, et al. Initialization and read-out of intrinsic spin defects in a van der waals crystal at room temperature. 16 Nature Materials, 19(5):540–545, 2020

    2020

  53. [53]

    Frank Neese.Zero-Field Splitting, chapter 34, pages 541–

  54. [54]

    John Wiley & Sons, Ltd, 2004

    2004

  55. [55]

    Donor– acceptor pair quantum emitters in hexagonal boron ni- tride.Nano Letters, 22(3):1331–1337, 2022

    Qinghai Tan, Jia-Min Lai, Xue-Lu Liu, Dan Guo, Yongzhou Xue, Xiuming Dou, Bao-Quan Sun, Hui-Xiong Deng, Ping-Heng Tan, Igor Aharonovich, et al. Donor– acceptor pair quantum emitters in hexagonal boron ni- tride.Nano Letters, 22(3):1331–1337, 2022

    2022

  56. [56]

    Quantum emis- sion from coupled spin pairs in hexagonal boron nitride

    Song Li, Anton Pershin, and Adam Gali. Quantum emis- sion from coupled spin pairs in hexagonal boron nitride. Nature Communications, 16(1):5842, 2025

    2025

  57. [57]

    A charge transfer mechanism for optically addressable solid-state spin pairs.Nature Physics, pages 1–7, 2025

    Islay O Robertson, Benjamin Whitefield, Sam C Scholten, Priya Singh, Alexander J Healey, Philipp Reineck, Mehran Kianinia, Gergely Barcza, Viktor Iv´ ady, David A Broad- way, et al. A charge transfer mechanism for optically addressable solid-state spin pairs.Nature Physics, pages 1–7, 2025

    2025

  58. [58]

    Momoko Onodera, Kenji Watanabe, Miyako Isayama, Miho Arai, Satoru Masubuchi, Rai Moriya, Takashi Taniguchi, and Tomoki Machida. Carbon-rich domain in hexagonal boron nitride: Carrier mobility degrada- tion and anomalous bending of the landau fan diagram in adjacent graphene.Nano Letters, 19(10):7282–7286, 2019

    2019

  59. [59]

    Silvan Kretschmer and Arkady V Krasheninnikov. Atom- istic simulations of low energy ion irradiation of 2d mate- rials: From ab-initio molecular dynamics to simple binary collision model.Physical Review Materials, 8(11):114003, 2024

    2024

  60. [60]

    Stopping power beyond the adiabatic approxi- mation.Scientific Reports, 7(1):2618, 2017

    Magdalena Caro, Alfredo A Correa, Emilio Artacho, and A Caro. Stopping power beyond the adiabatic approxi- mation.Scientific Reports, 7(1):2618, 2017

    2017

  61. [61]

    The stopping and range of ions in matter

    James F Ziegler and Jochen P Biersack. The stopping and range of ions in matter. InTreatise on heavy-ion science: volume 6: astrophysics, chemistry, and condensed matter, pages 93–129. Springer, 1985

    1985

  62. [62]

    Ion and electron irradiation-induced effects in nanostructured materials

    AV Krasheninnikov and Kai Nordlund. Ion and electron irradiation-induced effects in nanostructured materials. Journal of applied physics, 107(7), 2010

    2010

  63. [63]

    Electron knock-on damage in hexagonal boron nitride monolayers.Physi- cal Review B—Condensed Matter and Materials Physics, 82(11):113404, 2010

    Jani Kotakoski, Chuanhong H Jin, O Lehtinen, Kazu Sue- naga, and Arkady V Krasheninnikov. Electron knock-on damage in hexagonal boron nitride monolayers.Physi- cal Review B—Condensed Matter and Materials Physics, 82(11):113404, 2010

    2010

  64. [64]

    Defect and impurity properties of hexagonal boron nitride: A first-principles calculation.Physical Review B—Condensed Matter and Materials Physics, 86(24):245406, 2012

    Bing Huang and Hoonkyung Lee. Defect and impurity properties of hexagonal boron nitride: A first-principles calculation.Physical Review B—Condensed Matter and Materials Physics, 86(24):245406, 2012

    2012

  65. [65]

    Defect states in hexagonal boron nitride: Assignments of ob- served properties and prediction of properties relevant to quantum computation.Physical Review B, 97(6):064101, 2018

    A Sajid, Jeffrey R Reimers, and Michael J Ford. Defect states in hexagonal boron nitride: Assignments of ob- served properties and prediction of properties relevant to quantum computation.Physical Review B, 97(6):064101, 2018

    2018

  66. [66]

    Mag- netic communication through functionalized nanotubes: A theoretical study.Nano letters, 6(3):380–384, 2006

    Eliseo Ruiz, Francesca Nunzi, and Santiago Alvarez. Mag- netic communication through functionalized nanotubes: A theoretical study.Nano letters, 6(3):380–384, 2006

    2006

  67. [67]

    A grid- based bader analysis algorithm without lattice bias.Jour- nal of Physics: Condensed Matter, 21(8):084204, 2009

    Wei Tang, Eric Sanville, and Gustavo Henkelman. A grid- based bader analysis algorithm without lattice bias.Jour- nal of Physics: Condensed Matter, 21(8):084204, 2009

    2009

  68. [68]

    Electron param- agnetic resonance signature of point defects in neutron- irradiated hexagonal boron nitride.Physical review B, 98(15):155203, 2018

    JR Toledo, Daniel Batista de Jesus, Mehran Kian- inia, AS Leal, Cristiano Fantini, LA Cury, GAM S´ afar, I Aharonovich, and Klaus Krambrock. Electron param- agnetic resonance signature of point defects in neutron- irradiated hexagonal boron nitride.Physical review B, 98(15):155203, 2018

    2018

  69. [69]

    First-principles engineering of charged defects for two-dimensional quantum technolo- gies.Physical Review Materials, 1(7):071001, 2017

    Feng Wu, Andrew Galatas, Ravishankar Sundararaman, Dario Rocca, and Yuan Ping. First-principles engineering of charged defects for two-dimensional quantum technolo- gies.Physical Review Materials, 1(7):071001, 2017

    2017

  70. [70]

    Advancing hexagonal boron nitride single photon sources: A strategic roadmap for quantum appli- cations.Materials Science in Semiconductor Processing, 185:108932, 2025

    Alberto Boretti, Jonathan Blackledge, and Stefania Castelletto. Advancing hexagonal boron nitride single photon sources: A strategic roadmap for quantum appli- cations.Materials Science in Semiconductor Processing, 185:108932, 2025

    2025

  71. [71]

    Efficiency of ab- initio total energy calculations for metals and semiconduc- tors using a plane-wave basis set.Computational materials science, 6(1):15–50, 1996

    Georg Kresse and J¨ urgen Furthm¨ uller. Efficiency of ab- initio total energy calculations for metals and semiconduc- tors using a plane-wave basis set.Computational materials science, 6(1):15–50, 1996

    1996

  72. [72]

    Projector augmented-wave method.Phys- ical review B, 50(24):17953, 1994

    Peter E Bl¨ ochl. Projector augmented-wave method.Phys- ical review B, 50(24):17953, 1994

    1994

  73. [73]

    A consistent and accurate ab initio parametriza- tion of density functional dispersion correction (dft-d) for the 94 elements h-pu.The Journal of chemical physics, 132(15), 2010

    Stefan Grimme, Jens Antony, Stephan Ehrlich, and Helge Krieg. A consistent and accurate ab initio parametriza- tion of density functional dispersion correction (dft-d) for the 94 elements h-pu.The Journal of chemical physics, 132(15), 2010

    2010

  74. [74]

    Generalized gradient approximation made simple.Physi- cal review letters, 77(18):3865, 1996

    John P Perdew, Kieron Burke, and Matthias Ernzerhof. Generalized gradient approximation made simple.Physi- cal review letters, 77(18):3865, 1996

    1996

  75. [75]

    Hybrid functionals based on a screened coulomb potential.The Journal of chemical physics, 118(18):8207– 8215, 2003

    Jochen Heyd, Gustavo E Scuseria, and Matthias Ernz- erhof. Hybrid functionals based on a screened coulomb potential.The Journal of chemical physics, 118(18):8207– 8215, 2003

    2003

  76. [76]

    Influence of the exchange screen- ing parameter on the performance of screened hybrid functionals.The Journal of chemical physics, 125(22), 2006

    Aliaksandr V Krukau, Oleg A Vydrov, Artur F Izmaylov, and Gustavo E Scuseria. Influence of the exchange screen- ing parameter on the performance of screened hybrid functionals.The Journal of chemical physics, 125(22), 2006

    2006

  77. [77]

    Special points for brillouin-zone integrations.Physical review B, 13(12):5188, 1976

    Hendrik J Monkhorst and James D Pack. Special points for brillouin-zone integrations.Physical review B, 13(12):5188, 1976

    1976

  78. [78]

    The orca quantum chemistry pro- gram package.The Journal of chemical physics, 152(22), 2020

    Frank Neese, Frank Wennmohs, Ute Becker, and Christoph Riplinger. The orca quantum chemistry pro- gram package.The Journal of chemical physics, 152(22), 2020

    2020

  79. [79]

    Density-functional thermochemistry

    Axel D Becke. Density-functional thermochemistry. iii. the role of exact exchange.The Journal of chemical physics, 98(7):5648–5652, 1993

    1993

  80. [80]

    Devel- opment of the colle-salvetti correlation-energy formula into a functional of the electron density.Physical review B, 37(2):785, 1988

    Chengteh Lee, Weitao Yang, and Robert G Parr. Devel- opment of the colle-salvetti correlation-energy formula into a functional of the electron density.Physical review B, 37(2):785, 1988

    1988

Showing first 80 references.