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Influence of point defects on the optical properties of La3Nb0.5Ga5.5O14 crystals.

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Title: Influence of point defects on the optical properties of La3Nb0.5Ga5.5O14 crystals.
Authors: Chen, Jindong1 (AUTHOR), Gu, Hongxu2 (AUTHOR), Yang, Shusen1 (AUTHOR), Ye, Ning1 (AUTHOR) nye@email.tjut.edu.cn, Wu, Kui2 (AUTHOR), Lu, Dazhi2 (AUTHOR) dazhi.lu@sdu.edu.cn
Source: CrystEngComm. 6/22/2026, Vol. 28 Issue 24, p3775-3784. 10p.
Subjects: Point defects, Optical properties, Absorption spectra, Crystals, Dislocations in crystals, Crystal growth, Annealing of metals
Abstract: Point defects critically influence the optical performance of langasite-type La3Nb0.5Ga5.5O14 (LGN) crystals, yet their nature and evolution under different growth conditions remain unclear. Here, we systematically investigated the defect structure in LGN crystals grown under N2 and N2 + 2% O2 atmospheres and after subsequent vacuum annealing. The results revealed that both gallium vacancies and oxygen vacancies intrinsically existed in LGN, while their relative concentrations strongly depended on the growth atmosphere. In LGN grown under an N2 + O2 atmosphere, excess oxygen vacancies formed F and F+ centers, giving rise to characteristic absorption bands at ∼480 nm and ∼335 nm, respectively, whereas these color centers were largely suppressed in crystals grown under a pure N2 atmosphere. A distinct absorption band at ∼1860 nm was attributed to the electronic transitions involving gallium vacancy-induced shallow acceptor levels, as supported by first-principles calculations. Vacuum annealing selectively eliminated the F centers but preserved the F+ centers, which was attributed to their deeper defect levels and stronger electron localization. Based on these results, a defect formation mechanism governed by the competitive evaporation of Ga2O and O2 is proposed. Furthermore, dislocation analysis revealed that screw dislocations dominated on the (2−10) surface, while edge dislocations prevailed on the (001) surface, with a higher dislocation density observed in crystals grown under an oxygen-containing atmosphere. [ABSTRACT FROM AUTHOR]
Copyright of CrystEngComm is the property of Royal Society of Chemistry and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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Header DbId: egs
DbLabel: Engineering Source
An: 194722229
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
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  Data: Influence of point defects on the optical properties of La<subscript>3</subscript>Nb<subscript>0.5</subscript>Ga<subscript>5.5</subscript>O<subscript>14</subscript> crystals.
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  Data: <searchLink fieldCode="AR" term="%22Chen%2C+Jindong%22">Chen, Jindong</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Gu%2C+Hongxu%22">Gu, Hongxu</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Yang%2C+Shusen%22">Yang, Shusen</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Ye%2C+Ning%22">Ye, Ning</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> nye@email.tjut.edu.cn</i><br /><searchLink fieldCode="AR" term="%22Wu%2C+Kui%22">Wu, Kui</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Lu%2C+Dazhi%22">Lu, Dazhi</searchLink><relatesTo>2</relatesTo> (AUTHOR)<i> dazhi.lu@sdu.edu.cn</i>
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  Data: <searchLink fieldCode="JN" term="%22CrystEngComm%22">CrystEngComm</searchLink>. 6/22/2026, Vol. 28 Issue 24, p3775-3784. 10p.
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  Data: <searchLink fieldCode="DE" term="%22Point+defects%22">Point defects</searchLink><br /><searchLink fieldCode="DE" term="%22Optical+properties%22">Optical properties</searchLink><br /><searchLink fieldCode="DE" term="%22Absorption+spectra%22">Absorption spectra</searchLink><br /><searchLink fieldCode="DE" term="%22Crystals%22">Crystals</searchLink><br /><searchLink fieldCode="DE" term="%22Dislocations+in+crystals%22">Dislocations in crystals</searchLink><br /><searchLink fieldCode="DE" term="%22Crystal+growth%22">Crystal growth</searchLink><br /><searchLink fieldCode="DE" term="%22Annealing+of+metals%22">Annealing of metals</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Point defects critically influence the optical performance of langasite-type La3Nb0.5Ga5.5O14 (LGN) crystals, yet their nature and evolution under different growth conditions remain unclear. Here, we systematically investigated the defect structure in LGN crystals grown under N2 and N2 + 2% O2 atmospheres and after subsequent vacuum annealing. The results revealed that both gallium vacancies and oxygen vacancies intrinsically existed in LGN, while their relative concentrations strongly depended on the growth atmosphere. In LGN grown under an N2 + O2 atmosphere, excess oxygen vacancies formed F and F+ centers, giving rise to characteristic absorption bands at ∼480 nm and ∼335 nm, respectively, whereas these color centers were largely suppressed in crystals grown under a pure N2 atmosphere. A distinct absorption band at ∼1860 nm was attributed to the electronic transitions involving gallium vacancy-induced shallow acceptor levels, as supported by first-principles calculations. Vacuum annealing selectively eliminated the F centers but preserved the F+ centers, which was attributed to their deeper defect levels and stronger electron localization. Based on these results, a defect formation mechanism governed by the competitive evaporation of Ga2O and O2 is proposed. Furthermore, dislocation analysis revealed that screw dislocations dominated on the (2−10) surface, while edge dislocations prevailed on the (001) surface, with a higher dislocation density observed in crystals grown under an oxygen-containing atmosphere. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of CrystEngComm is the property of Royal Society of Chemistry and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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    Identifiers:
      – Type: doi
        Value: 10.1039/d6ce00090h
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      – Code: eng
        Text: English
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      Pagination:
        PageCount: 10
        StartPage: 3775
    Subjects:
      – SubjectFull: Point defects
        Type: general
      – SubjectFull: Optical properties
        Type: general
      – SubjectFull: Absorption spectra
        Type: general
      – SubjectFull: Crystals
        Type: general
      – SubjectFull: Dislocations in crystals
        Type: general
      – SubjectFull: Crystal growth
        Type: general
      – SubjectFull: Annealing of metals
        Type: general
    Titles:
      – TitleFull: Influence of point defects on the optical properties of La3Nb0.5Ga5.5O14 crystals.
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          Name:
            NameFull: Chen, Jindong
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            NameFull: Gu, Hongxu
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            NameFull: Yang, Shusen
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            NameFull: Ye, Ning
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            NameFull: Wu, Kui
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            NameFull: Lu, Dazhi
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            – D: 22
              M: 06
              Text: 6/22/2026
              Type: published
              Y: 2026
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              Value: 28
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              Value: 24
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