Correction to “α-Li2ZnGeS4 - A Wide-Bandgap Diamond-like Semiconductor with Excellent Balance between Laser-Induced Damage Threshold and Second Harmonic Generation Response”
At a Glance
Section titled “At a Glance”| Metadata | Details |
|---|---|
| Publication Date | 2024-05-29 |
| Journal | Chemistry of Materials |
| Authors | Katherine E. Colbaugh, Jian‐Han Zhang, Daniel J. Clark, Jacilynn A. Brant, Kimberly A. Rosmus |
| Institutions | Duquesne University, Sanming University |
| Citations | 1 |
| Analysis | Full AI Review Included |
Technical Documentation & Analysis: Diamond-Like Semiconductors for High-Power Optics
Section titled “Technical Documentation & Analysis: Diamond-Like Semiconductors for High-Power Optics”Source Document: Correction to “$\alpha$-Li2ZnGeS4: A Wide-Bandgap Diamond-like Semiconductor with Excellent Balance between Laser-Induced Damage Threshold and Second Harmonic Generation Response” (Chem. Mater. 2024, 36, 5855-5855)
Executive Summary
Section titled “Executive Summary”This correction confirms the superior nonlinear optical performance of $\alpha$-Li2ZnGeS4, a wide-bandgap, diamond-like material, by validating its significantly higher dipole moment compared to its $\beta$-phase. This research underscores the critical demand for materials exhibiting extreme properties in high-power laser and frequency conversion applications.
- Application Focus: Infrared Nonlinear Optical (NLO) materials requiring high Laser-Induced Damage Threshold (LDT) and strong Second Harmonic Generation (SHG) response.
- Key Finding: Revised calculations confirm the $\alpha$-phase dipole moment (15.00 x 10-3 D/ų) is over 3x greater than the $\beta$-phase (4.43 x 10-3 D/ų), explaining the superior macroscopic SHG response.
- Material Requirement: The application demands wide bandgap, high thermal conductivity, and structural stability—properties where MPCVD diamond (SCD) is the industry benchmark.
- 6CCVD Value Proposition: While the paper discusses a “diamond-like” material, 6CCVD provides true Single Crystal Diamond (SCD) and Polycrystalline Diamond (PCD) engineered for the highest LDT and thermal management requirements in NLO systems.
- Engineering Insight: The polarization analysis confirms that maximizing dipole moment along the primary axis (c-axis) is key to optimizing SHG response in these wide-bandgap structures.
Technical Specifications
Section titled “Technical Specifications”The following data reflects the corrected dipole moment calculations for the $\alpha$- and $\beta$-phases of Li2ZnGeS4, highlighting the structural basis for the superior SHG response of the $\alpha$-phase.
| Parameter | $\alpha$-Li2ZnGeS4 Value | $\beta$-Li2ZnGeS4 Value | Unit | Context |
|---|---|---|---|---|
| Total Dipole Moment (Revised) | 15.00 x 10-3 | 4.43 x 10-3 | D/Å3 | Macroscopic SHG response correlation |
| Net Polarization (z-direction) | -9.55 | N/A | D | Polarization amasses significantly along the c-axis |
| Sum per Unit Cell (D) | 9.55 | 1.41 | D | Total calculated dipole moment |
| Cell Volume | 636.76 | 317.4 | Å3 | Crystal structure volume |
| Li(1)S4 Total Moment | 2.07 x 4 | 3.78 x 2 | D | Distortion contribution per tetrahedron |
| Zn(1)S4 Total Moment | 1.00 x 4 | 0.84 x 2 | D | Distortion contribution per tetrahedron |
| Dipole Moment Ratio ($\alpha$ / $\beta$) | > 3x | 1x (Reference) | N/A | Superior SHG response of $\alpha$-phase |
Key Methodologies
Section titled “Key Methodologies”The paper focuses on correcting computational errors in the calculation of the dipole moment, which is crucial for predicting nonlinear optical behavior.
- Coordinate System Correction: Dipole moment calculations were revised to utilize Cartesian coordinates instead of fractional atomic coordinates, correcting a significant source of error.
- Bond Valence Incorporation: The bond valence (Sij) for anions was correctly incorporated into the calculation of the dipole moment as a negative number.
- Polarization Analysis: The revised calculations confirmed that the polarization from the tetrahedra (specifically LiS4) amasses most significantly along the c-axis.
- Consistency Check: The new results were verified to be consistent with the simple bond-valence approach used historically to calculate dipole moments.
- Comparative Analysis: The corrected dipole moments for the $\alpha$- and $\beta$-phases were compared to validate the structural origin of the $\alpha$-phase’s superior macroscopic SHG response.
6CCVD Solutions & Capabilities
Section titled “6CCVD Solutions & Capabilities”The research on $\alpha$-Li2ZnGeS4$ highlights the need for materials with exceptional optical and thermal properties for high-power laser applications. 6CCVD specializes in MPCVD diamond, which offers properties far exceeding those of any “diamond-like” semiconductor, making it the ideal choice for next-generation NLO and high-LDT components.
Applicable Materials
Section titled “Applicable Materials”For applications requiring the highest LDT, widest bandgap, and superior thermal management—critical factors in SHG and high-power infrared optics—6CCVD recommends:
| 6CCVD Material | Grade | Key Benefit for NLO/SHG | | :--- | :--- | :--- | | Single Crystal Diamond (SCD) | Optical Grade (Low N) | Ultimate LDT. Zero grain boundaries, highest thermal conductivity (>2000 W/mK), and widest bandgap (5.5 eV) for maximum power handling and thermal stability. | | Polycrystalline Diamond (PCD) | Optical/Thermal Grade | Cost-effective solution for large-area windows and heat spreaders (up to 125mm diameter) where grain boundaries are acceptable. | | Boron-Doped Diamond (BDD) | Heavy Doping | If the application requires integrated electrodes or conductive elements for electro-optic modulation alongside high LDT. |
Customization Potential for Advanced Optics
Section titled “Customization Potential for Advanced Optics”6CCVD’s in-house manufacturing capabilities are perfectly suited to meet the demanding specifications of nonlinear optical research and device integration:
- Custom Dimensions: We supply SCD plates up to 15mm x 15mm and PCD wafers up to 125mm in diameter, enabling scaling of high-power optical systems.
- Precision Thickness Control: SCD and PCD layers can be grown from 0.1µm up to 500µm, allowing precise control over optical path length and thermal resistance.
- Ultra-Low Roughness Polishing: For minimizing scattering losses and maximizing LDT, 6CCVD guarantees surface roughness of:
- SCD: Ra < 1nm
- Inch-size PCD: Ra < 5nm
- Integrated Metalization: If the research requires patterned electrodes or contact layers (e.g., for electro-optic devices or thermal sinks), 6CCVD offers internal deposition of Au, Pt, Pd, Ti, W, and Cu.
Engineering Support
Section titled “Engineering Support”The challenges faced in optimizing the dipole moment and polarization in $\alpha$-Li2ZnGeS4 are analogous to the material selection challenges in other high-performance optical systems. 6CCVD’s in-house PhD team specializes in:
- Material Selection: Assisting researchers in selecting the optimal diamond grade (SCD vs. PCD, doping level, nitrogen content) to maximize LDT and minimize absorption for specific laser wavelengths (IR, visible, UV).
- Thermal Management Design: Utilizing diamond’s unmatched thermal conductivity to manage heat dissipation in high-power NLO components, preventing thermal lensing and damage.
- Surface Engineering: Providing custom polishing and metalization recipes tailored for specific optical coatings or device integration requirements.
For custom specifications or material consultation, visit 6ccvd.com or contact our engineering team directly.
View Original Abstract
ADVERTISEMENT RETURN TO ARTICLES ASAPPREVAddition/CorrectionNEXTORIGINAL ARTICLEThis notice is a correctionCorrection to “α-Li2ZnGeS4: A Wide-Bandgap Diamond-like Semiconductor with Excellent Balance between Laser-Induced Damage Threshold and Second Harmonic Generation Response”Katherine E. ColbaughKatherine E. ColbaughDepartment of Chemistry and Biochemistry, Duquesne University, Pittsburgh, Pennsylvania 15282, United StatesMore by Katherine E. Colbaugh, Jian-Han ZhangJian-Han ZhangSchool of Resources and Chemical Engineering, Sanming University, Sanming 365004, P. R. ChinaMore by Jian-Han Zhanghttps://orcid.org/0000-0001-8248-5010, Daniel J. ClarkDaniel J. ClarkDepartment of Physics, Applied Physics and Astronomy, Binghamton University, Binghamton, New York 13902, United StatesMore by Daniel J. Clark, Jacilynn A. BrantJacilynn A. BrantDepartment of Chemistry and Biochemistry, Duquesne University, Pittsburgh, Pennsylvania 15282, United StatesMore by Jacilynn A. Brant, Kimberly A. RosmusKimberly A. RosmusDepartment of Chemistry and Biochemistry, Duquesne University, Pittsburgh, Pennsylvania 15282, United StatesMore by Kimberly A. Rosmus, Pedro GrimaPedro GrimaCentro de Estudios de Semiconductores, Departamento de Física, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, VenezuelaCentro Nacional de Tecnologías Ópticas (CNTO), Mérida 5101, VenezeulaMore by Pedro Grima, Jonathan W. LekseJonathan W. LekseDepartment of Chemistry and Biochemistry, Duquesne University, Pittsburgh, Pennsylvania 15282, United StatesMore by Jonathan W. Lekse, Joon I. JangJoon I. JangDepartment of Physics, Sogang University, Seoul 04017, South KoreaMore by Joon I. Janghttps://orcid.org/0000-0002-1608-8321, and Jennifer A. AitkenJennifer A. AitkenDepartment of Chemistry and Biochemistry, Duquesne University, Pittsburgh, Pennsylvania 15282, United StatesMore by Jennifer A. Aitkenhttps://orcid.org/0000-0001-8281-5091Cite this: Chem. Mater. 2024, XXXX, XXX, XXX-XXXPublication Date (Web):May 28, 2024Publication History Received27 February 2024Published online28 May 2024https://pubs.acs.org/doi/10.1021/acs.chemmater.4c00551https://doi.org/10.1021/acs.chemmater.4c00551correctionACS Publications© 2024 American Chemical Society. This publication is available under these Terms of Use. Request reuse permissions This publication is free to access through this site. Learn MoreArticle Views-Altmetric-Citations-LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail PDF (710 KB) Get e-Alertsclose Get e-Alerts
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Section titled “References”- 1929 - Polar Molecules