Bubnova, Rimma ; Volkov, Sergey ; Albert, Barbara ; Filatov, Stanislav (2024)
Borates — Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations.
In: Crystals, 2017, 7 (3)
doi: 10.26083/tuprints-00016605
Artikel, Zweitveröffentlichung, Verlagsversion
 | Es ist eine neuere Version dieses Eintrags verfügbar. |
Kurzbeschreibung (Abstract)
In the present study the thermal structure evolution is reviewed for known nonlinear optical borates such as β-BaB₂O₄, LiB₃O₅, CsLiB₆O₁₀, Li₂B₄O₇, K₂Al₂B₂O₇, and α-BiB₃O₆, based on single-crystal and powder X-ray diffraction data collected over wide temperature ranges. Temperature-dependent measurements of further borates are presented for the first time: α-BaB₂O₄ (295–673 K), β-BaB₂O₄ (98–693 K), LiB₃O₅ (98–650 K) and K₂Al₂B₂O₇ (98–348 K). In addition to the established criteria for nonlinear optical (NLO) properties of crystals, here the role of the anisotropy and anharmonicity of the thermal vibrations of atoms is analysed as well as changes in their coordination spheres and the anisotropy of the thermal expansion of the crystal structure. Non-centrosymmetric borates, especially those that have NLO properties, often show distinct anisotropies for each cation in comparison to centrosymmetric borates. All considered NLO borates contain BO₃ triangles, which are the principal cause of the strong anisotropy of the thermal expansion.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2024 |
| Autor(en): | Bubnova, Rimma ; Volkov, Sergey ; Albert, Barbara ; Filatov, Stanislav |
| Art des Eintrags: | Zweitveröffentlichung |
| Titel: | Borates — Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations |
| Sprache: | Englisch |
| Publikationsjahr: | 16 Januar 2024 |
| Ort: | Darmstadt |
| Publikationsdatum der Erstveröffentlichung: | 2017 |
| Ort der Erstveröffentlichung: | Basel |
| Verlag: | MDPI |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Crystals |
| Jahrgang/Volume einer Zeitschrift: | 7 |
| (Heft-)Nummer: | 3 |
| Kollation: | 32 Seiten |
| DOI: | 10.26083/tuprints-00016605 |
| URL / URN: | https://tuprints.ulb.tu-darmstadt.de/16605 |
| Zugehörige Links: | |
| Herkunft: | Zweitveröffentlichung DeepGreen |
| Kurzbeschreibung (Abstract): | In the present study the thermal structure evolution is reviewed for known nonlinear optical borates such as β-BaB₂O₄, LiB₃O₅, CsLiB₆O₁₀, Li₂B₄O₇, K₂Al₂B₂O₇, and α-BiB₃O₆, based on single-crystal and powder X-ray diffraction data collected over wide temperature ranges. Temperature-dependent measurements of further borates are presented for the first time: α-BaB₂O₄ (295–673 K), β-BaB₂O₄ (98–693 K), LiB₃O₅ (98–650 K) and K₂Al₂B₂O₇ (98–348 K). In addition to the established criteria for nonlinear optical (NLO) properties of crystals, here the role of the anisotropy and anharmonicity of the thermal vibrations of atoms is analysed as well as changes in their coordination spheres and the anisotropy of the thermal expansion of the crystal structure. Non-centrosymmetric borates, especially those that have NLO properties, often show distinct anisotropies for each cation in comparison to centrosymmetric borates. All considered NLO borates contain BO₃ triangles, which are the principal cause of the strong anisotropy of the thermal expansion. |
| Freie Schlagworte: | NLO borates, crystal structures at low and high temperatures, rigid boron–oxygen groups, anisotropic and anharmonic atomic vibrations, thermal expansion, low- and high-temperature single-crystal and powder X-ray diffraction |
| Status: | Verlagsversion |
| URN: | urn:nbn:de:tuda-tuprints-166055 |
| Zusätzliche Informationen: | This article belongs to the Special Issue Nonlinear Optical Crystals 2017—Commemorative Issue in Honor of Professor Chuangtian Chen on the Occasion of his 80th Anniversary |
| Sachgruppe der Dewey Dezimalklassifikatin (DDC): | 500 Naturwissenschaften und Mathematik > 540 Chemie |
| Fachbereich(e)/-gebiet(e): | 07 Fachbereich Chemie 07 Fachbereich Chemie > Eduard Zintl-Institut > Fachgebiet Anorganische Chemie |
| Hinterlegungsdatum: | 16 Jan 2024 10:36 |
| Letzte Änderung: | 17 Jan 2024 08:55 |
| PPN: | |
| Export: | |
| Suche nach Titel in: | TUfind oder in Google |
Verfügbare Versionen dieses Eintrags
- Borates — Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations. (deposited 16 Jan 2024 10:36) [Gegenwärtig angezeigt]
 |
Frage zum Eintrag |
Optionen (nur für Redakteure)
 |
Redaktionelle Details anzeigen |
Drucken
Impressum