Correction to “Phase Matching, Strong Frequency Doubling, and Outstanding Laser-Induced Damage Threshold in the Biaxial, Quaternary Diamond-like Semiconductor Li4CdSn2S7”
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, Stanislav S. Stoyko, Andrew J. Craig, P. Grima |
| Institutions | Duquesne University, Sanming University |
| Analysis | Full AI Review Included |
Executive Summary
Section titled “Executive Summary”This document provides a correction to the calculated dipole moment and polarization metrics for the quaternary diamond-like semiconductor, Li4CdSn2S7, confirming its strong potential as a Nonlinear Optical (NLO) material for mid-infrared (mid-IR) applications.
- Core Value Proposition: Li4CdSn2S7 exhibits exceptionally strong polarization, a key indicator of high Second Harmonic Generation (SHG) response, coupled with an outstanding Laser-Induced Damage Threshold (LIDT) (as noted in the original paper).
- Corrected Polarization: The calculated total polarization per volume is 265.18 x 10-4 D/A3.
- Performance Benchmark: This corrected polarization is significantly higher than established NLO materials, measuring approximately 1.8x that of alpha-Li2ZnGeS4 and 1.4x that of LiInS2.
- Structural Origin of NLO: The strong SHG response is primarily driven by the distortion of the LiS4 (3.52 D) and SnS4 (2.88 D) tetrahedra, rather than the CdS4 tetrahedron (1.12 D).
- Polarization Direction: The maximum polarization within the unit cell is found along the [001] direction (c-axis), confirming the findings of the original publication.
- Calculation Correction: Errors in the original calculation involved using fractional coordinates instead of Cartesian coordinates and applying the wrong sign (positive instead of negative) for the bond valence (Sij) of anions.
Technical Specifications
Section titled “Technical Specifications”| Parameter | Value | Unit | Context |
|---|---|---|---|
| Material System | Li4CdSn2S7 | N/A | Biaxial, Quaternary Diamond-like Semiconductor |
| Total Polarization (Corrected, per Volume) | 265.18 | x 10-4 D/A3 | Key metric for NLO response |
| Total Dipole Moment (Corrected, per Cell) | 3305.19 | x 10-2 D | Calculated value |
| Maximum Polarization Direction | [001] | N/A | Aligned with the crystallographic c-axis |
| Polarization Component (z-axis) | -3280.78 | x 10-2 D | Dominant component |
| Polarization Component (x-axis) | 400.95 | x 10-2 D | Minor component |
| Polarization Component (y-axis) | 0.00 | x 10-2 D | Negligible component |
| LiS4 Tetrahedron Distortion | 3.52 | D | Largest contributor to SHG response |
| SnS4 Tetrahedron Distortion | 2.88 | D | Second largest contributor to SHG response |
| Relative Polarization vs. alpha-Li2ZnGeS4 | 1.8x | N/A | Li4CdSn2S7 is 1.8 times stronger |
| Relative Polarization vs. LiInS2 | 1.4x | N/A | Li4CdSn2S7 is 1.4 times stronger |
Key Methodologies
Section titled “Key Methodologies”The data presented are derived from corrected theoretical calculations of the dipole moment, which is the fundamental metric used to predict the NLO response (SHG).
- Methodology Basis: Calculations utilized the Bond-Valence Method, consistent with established computational approaches for analyzing out-of-center distortion in acentric materials.
- Coordinate Correction: The input data for the calculations were corrected by switching from the previously used fractional atomic coordinates to the required Cartesian coordinates.
- Bond Valence Sign Correction: The positive bond valence (Sij) value, which was incorrectly incorporated into the dipole moment calculations for the anions, was corrected to a negative value.
- Structural Analysis: Dipole moments were calculated for individual tetrahedra (LiS4, SnS4, CdS4) to quantify their distortion and determine their contribution to the overall polarization.
- Directional Analysis: Polarization components were calculated along the [100], [010], and [001] directions to confirm the primary axis of NLO activity.
Commercial Applications
Section titled “Commercial Applications”The material Li4CdSn2S7, due to its high polarization, strong SHG response, and high laser damage threshold, is highly relevant for advanced photonics and mid-IR systems.
- Advanced Laser Technology: Used in high-power laser systems requiring robust materials for frequency conversion (Second Harmonic Generation, SHG).
- Mid-Infrared (Mid-IR) Optics: Fabrication of frequency doubling crystals essential for generating coherent light in the mid-IR spectral range (3-12 µm), critical for atmospheric sensing and thermal imaging.
- Parametric Down-Conversion (PDC): Utilization in devices that convert high-energy photons into lower-energy photon pairs, enabling coverage of the mid-infrared spectral range by solid-state laser sources.
- Defense and Security: Applications in infrared countermeasures, remote chemical sensing, and atmospheric monitoring systems that rely on robust, high-efficiency mid-IR sources.
- Spectroscopy: Use in advanced spectroscopic instruments requiring tunable, high-intensity mid-IR light sources for material analysis and research.
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ADVERTISEMENT RETURN TO ARTICLES ASAPPREVAddition/CorrectionNEXTORIGINAL ARTICLEThis notice is a correctionCorrection to “Phase Matching, Strong Frequency Doubling, and Outstanding Laser-Induced Damage Threshold in the Biaxial, Quaternary Diamond-like Semiconductor Li4CdSn2S7”Katherine E. ColbaughKatherine E. ColbaughDepartment of Chemistry and Biochemistry, Duquesne University, 600 Forbes Ave., Mellon Hall 302a, Pittsburgh, Pennsylvania 15282, United StatesMore by Katherine E. Colbaugh, Jian-Han ZhangJian-Han ZhangSchool of Resources and Chemical Engineering, Sanming University, 25 Jingdong Rd., Sanming, Fujian 365004, P. R. ChinaMore by Jian-Han Zhanghttps://orcid.org/0000-0001-8248-5010, Stanislav S. StoykoStanislav S. StoykoDepartment of Chemistry and Biochemistry, Duquesne University, 600 Forbes Ave., Mellon Hall 302a, Pittsburgh, Pennsylvania 15282, United StatesMore by Stanislav S. Stoyko, Andrew J. CraigAndrew J. CraigDepartment of Chemistry and Biochemistry, Duquesne University, 600 Forbes Ave., Mellon Hall 302a, Pittsburgh, Pennsylvania 15282, United StatesMore by Andrew J. Craig, Pedro GrimaPedro GrimaDepartment of Physics, Sogang University, Seoul 04017, South KoreaCentro Nacional de Tecnologías Ópticas (CNTO), Mérida 5101, VenezuelaMore by Pedro Grima, Joshua W. KotcheyJoshua W. KotcheyDepartment of Chemistry and Biochemistry, Duquesne University, 600 Forbes Ave., Mellon Hall 302a, Pittsburgh, Pennsylvania 15282, United StatesMore by Joshua W. Kotchey, 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, 600 Forbes Ave., Mellon Hall 302a, 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 29, 2024Publication History Received1 April 2024Published online29 May 2024https://pubs.acs.org/doi/10.1021/acs.chemmater.4c00961https://doi.org/10.1021/acs.chemmater.4c00961correctionACS 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 (694 KB) Get e-AlertscloseSupporting Info (1)»Supporting Information Supporting Information Get e-Alerts
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Section titled “Tech Support”Original Source
Section titled “Original Source”References
Section titled “References”- 1929 - Polar Molecules