Ba3.5Cu7.55In1.15Se9: A Wide-Bandgap Copper Indium Selenide Reveals Strong Luminescence and Third-Harmonic Generation

Yu Hsuan Su; Wei Liang Chen; Hye Ryung Byun; Yu Fu Zhang; Min Rui Zhuang; Yu Cih Lin; Chung Kai Chang; Po Yuan Wang; Che Cheng Lin; Kuang I. Lin; Hsin Kuan Liu; Min Kai Lee; Joon I. Jang; Yu Ming Chang; Kuei Fang Hsu

doi:10.1021/acs.inorgchem.2c03789

Ba_3.5Cu_7.55In_1.15Se₉: A Wide-Bandgap Copper Indium Selenide Reveals Strong Luminescence and Third-Harmonic Generation

Yu Hsuan Su, Wei Liang Chen, Hye Ryung Byun, Yu Fu Zhang, Min Rui Zhuang, Yu Cih Lin, Chung Kai Chang, Po Yuan Wang, Che Cheng Lin, Kuang I. Lin, Hsin Kuan Liu, Min Kai Lee, Joon I. Jang, Yu Ming Chang, Kuei Fang Hsu

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Abstract

A new copper indium selenide, Ba_3.5Cu_7.55In_1.15Se₉, was synthesized by the KBr flux reaction at 800 °C. The compound crystallizes with orthorhombic Pnma, a = 46.1700(12) Å, b = 4.26710(10) Å, c = 19.8125(5) Å, and Z = 8. The structural framework mainly consists of four sites of cubane-type defective M₄Se₃ (M = Cu, Cu/In) units with disordered Cu⁺/In³⁺ ions present at the part corner of each unit. The single crystal emits intense photoluminescence at 657 nm with a relative quantum yield (RQY) 0.2 times that of rhodamine 6G powder. The compound belongs to a direct band gap at 1.91 eV, analyzed by Tauc’s plot, and the energy is close to the PL position. The Hall effect measurement on a pressed pellet reveals an n-type conductivity with a carrier concentration of 3.358 × 10¹⁷ cm^-3 and a mobility of 24.331 cm² V^-1 s^-1. Furthermore, the compound produces a strong nonlinear third-harmonic generation (THG), with an χ_S⁽³⁾ value of 1.3 × 10⁵ pm²/V² comparable to 1.6 × 10⁵ pm²/V² for AgGaSe₂ measured at 800 nm.

Original language	English
Pages (from-to)	1570-1579
Number of pages	10
Journal	Inorganic Chemistry
Volume	62
Issue number	4
DOIs	https://doi.org/10.1021/acs.inorgchem.2c03789
Publication status	Published - 2023 Jan 30

All Science Journal Classification (ASJC) codes

Physical and Theoretical Chemistry
Inorganic Chemistry

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10.1021/acs.inorgchem.2c03789

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Su, Y. H., Chen, W. L., Byun, H. R., Zhang, Y. F., Zhuang, M. R., Lin, Y. C., Chang, C. K., Wang, P. Y., Lin, C. C., Lin, K. I., Liu, H. K., Lee, M. K., Jang, J. I., Chang, Y. M., & Hsu, K. F. (2023). Ba_3.5Cu_7.55In_1.15Se₉: A Wide-Bandgap Copper Indium Selenide Reveals Strong Luminescence and Third-Harmonic Generation. Inorganic Chemistry, 62(4), 1570-1579. https://doi.org/10.1021/acs.inorgchem.2c03789

@article{19bf0f526d9a4807a574f2860a3d12a9,

title = "Ba3.5Cu7.55In1.15Se9: A Wide-Bandgap Copper Indium Selenide Reveals Strong Luminescence and Third-Harmonic Generation",

abstract = "A new copper indium selenide, Ba3.5Cu7.55In1.15Se9, was synthesized by the KBr flux reaction at 800 °C. The compound crystallizes with orthorhombic Pnma, a = 46.1700(12) {\AA}, b = 4.26710(10) {\AA}, c = 19.8125(5) {\AA}, and Z = 8. The structural framework mainly consists of four sites of cubane-type defective M4Se3 (M = Cu, Cu/In) units with disordered Cu+/In3+ ions present at the part corner of each unit. The single crystal emits intense photoluminescence at 657 nm with a relative quantum yield (RQY) 0.2 times that of rhodamine 6G powder. The compound belongs to a direct band gap at 1.91 eV, analyzed by Tauc{\textquoteright}s plot, and the energy is close to the PL position. The Hall effect measurement on a pressed pellet reveals an n-type conductivity with a carrier concentration of 3.358 × 1017 cm-3 and a mobility of 24.331 cm2 V-1 s-1. Furthermore, the compound produces a strong nonlinear third-harmonic generation (THG), with an χS(3) value of 1.3 × 105 pm2/V2 comparable to 1.6 × 105 pm2/V2 for AgGaSe2 measured at 800 nm.",

author = "Su, {Yu Hsuan} and Chen, {Wei Liang} and Byun, {Hye Ryung} and Zhang, {Yu Fu} and Zhuang, {Min Rui} and Lin, {Yu Cih} and Chang, {Chung Kai} and Wang, {Po Yuan} and Lin, {Che Cheng} and Lin, {Kuang I.} and Liu, {Hsin Kuan} and Lee, {Min Kai} and Jang, {Joon I.} and Chang, {Yu Ming} and Hsu, {Kuei Fang}",

note = "Publisher Copyright: {\textcopyright} 2023 American Chemical Society.",

year = "2023",

month = jan,

day = "30",

doi = "10.1021/acs.inorgchem.2c03789",

language = "English",

volume = "62",

pages = "1570--1579",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "4",

}

Su, YH, Chen, WL, Byun, HR, Zhang, YF, Zhuang, MR, Lin, YC, Chang, CK, Wang, PY, Lin, CC, Lin, KI, Liu, HK, Lee, MK, Jang, JI, Chang, YM & Hsu, KF 2023, 'Ba_3.5Cu_7.55In_1.15Se₉: A Wide-Bandgap Copper Indium Selenide Reveals Strong Luminescence and Third-Harmonic Generation', Inorganic Chemistry, vol. 62, no. 4, pp. 1570-1579. https://doi.org/10.1021/acs.inorgchem.2c03789

TY - JOUR

T1 - Ba3.5Cu7.55In1.15Se9

T2 - A Wide-Bandgap Copper Indium Selenide Reveals Strong Luminescence and Third-Harmonic Generation

AU - Su, Yu Hsuan

AU - Chen, Wei Liang

AU - Byun, Hye Ryung

AU - Zhang, Yu Fu

AU - Zhuang, Min Rui

AU - Lin, Yu Cih

AU - Chang, Chung Kai

AU - Wang, Po Yuan

AU - Lin, Che Cheng

AU - Lin, Kuang I.

AU - Liu, Hsin Kuan

AU - Lee, Min Kai

AU - Jang, Joon I.

AU - Chang, Yu Ming

AU - Hsu, Kuei Fang

PY - 2023/1/30

Y1 - 2023/1/30

N2 - A new copper indium selenide, Ba3.5Cu7.55In1.15Se9, was synthesized by the KBr flux reaction at 800 °C. The compound crystallizes with orthorhombic Pnma, a = 46.1700(12) Å, b = 4.26710(10) Å, c = 19.8125(5) Å, and Z = 8. The structural framework mainly consists of four sites of cubane-type defective M4Se3 (M = Cu, Cu/In) units with disordered Cu+/In3+ ions present at the part corner of each unit. The single crystal emits intense photoluminescence at 657 nm with a relative quantum yield (RQY) 0.2 times that of rhodamine 6G powder. The compound belongs to a direct band gap at 1.91 eV, analyzed by Tauc’s plot, and the energy is close to the PL position. The Hall effect measurement on a pressed pellet reveals an n-type conductivity with a carrier concentration of 3.358 × 1017 cm-3 and a mobility of 24.331 cm2 V-1 s-1. Furthermore, the compound produces a strong nonlinear third-harmonic generation (THG), with an χS(3) value of 1.3 × 105 pm2/V2 comparable to 1.6 × 105 pm2/V2 for AgGaSe2 measured at 800 nm.

AB - A new copper indium selenide, Ba3.5Cu7.55In1.15Se9, was synthesized by the KBr flux reaction at 800 °C. The compound crystallizes with orthorhombic Pnma, a = 46.1700(12) Å, b = 4.26710(10) Å, c = 19.8125(5) Å, and Z = 8. The structural framework mainly consists of four sites of cubane-type defective M4Se3 (M = Cu, Cu/In) units with disordered Cu+/In3+ ions present at the part corner of each unit. The single crystal emits intense photoluminescence at 657 nm with a relative quantum yield (RQY) 0.2 times that of rhodamine 6G powder. The compound belongs to a direct band gap at 1.91 eV, analyzed by Tauc’s plot, and the energy is close to the PL position. The Hall effect measurement on a pressed pellet reveals an n-type conductivity with a carrier concentration of 3.358 × 1017 cm-3 and a mobility of 24.331 cm2 V-1 s-1. Furthermore, the compound produces a strong nonlinear third-harmonic generation (THG), with an χS(3) value of 1.3 × 105 pm2/V2 comparable to 1.6 × 105 pm2/V2 for AgGaSe2 measured at 800 nm.

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U2 - 10.1021/acs.inorgchem.2c03789

DO - 10.1021/acs.inorgchem.2c03789

M3 - Article

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AN - SCOPUS:85146533345

SN - 0020-1669

VL - 62

SP - 1570

EP - 1579

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 4

ER -

Ba_3.5Cu_7.55In_1.15Se₉: A Wide-Bandgap Copper Indium Selenide Reveals Strong Luminescence and Third-Harmonic Generation

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