New metal chalcogenides Ba4CuGa5Q12 (Q = S, Se) displaying strong infrared nonlinear optical response

Shu Ming Kuo, Yu Ming Chang, In Chung, Joon Ik Jang, Bo Hsian Her, Siao Han Yang, John B. Ketterson, Mercouri G Kanatzidis, Kuei Fang Hsu

Research output: Contribution to journalArticle

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Abstract

A series of new metal chalcogenides Ba4CuGa5Q 12 (Q = S, S0.75Se0.25, Se) were synthesized using KBr flux at 750 C. The three compounds are isostructural and adopt the noncentrosymmetric space group P4Ì...21c. Crystal data are as follows: Ba4CuGa5S12, 1, a = 13.040(1) Å, c = 6.304(1) Å, and Z = 2; Ba4CuGa5S 9.00(1)Se2.92(1), 2, a = 13.1585(2) Å, c = 6.3520(2) Å, and Z = 2; Ba4CuGa5Se12, 3, a = 13.598(1) Å, c = 6.527(1) Å, and Z = 2. The three-dimensional framework in 1 is constructed by infinite columns ∞1[CuGa 4S10]7- that surround the discrete GaS 4 tetrahedra situated on a 4Ì... axis. The discrete GaS 4 tetrahedra on the stacking (112) planes and canted oriented edge-sharing CuS4 tetrahedra within the columns may account for the occurrence of strong second-harmonic generation (SHG) responses. Compounds 1-3 are transparent in the mid-infrared range and have the absorption edges at 2.82, 2.05, and 1.45 eV, respectively. The new nonlinear optical (NLO) materials are type-I nonphase matching at 693 nm and display strong SHG intensities that are ∼2.7, ∼2.6, and ∼1.1 times that of AgGaSe2 at 808 nm. Raman spectroscopic characterization of the compounds is reported.

Original languageEnglish
Pages (from-to)2427-2433
Number of pages7
JournalChemistry of Materials
Volume25
Issue number12
DOIs
Publication statusPublished - Jun 25 2013

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Chalcogenides
Harmonic generation
Metals
Infrared radiation
Optical materials
Fluxes
Crystals
potassium bromide

Keywords

  • AgGaSe
  • infrared NLO
  • metal chalcogenides BaCuGaQ
  • nonphase matching
  • SHG

ASJC Scopus subject areas

  • Materials Chemistry
  • Chemical Engineering(all)
  • Chemistry(all)

Cite this

Kuo, S. M., Chang, Y. M., Chung, I., Jang, J. I., Her, B. H., Yang, S. H., ... Hsu, K. F. (2013). New metal chalcogenides Ba4CuGa5Q12 (Q = S, Se) displaying strong infrared nonlinear optical response. Chemistry of Materials, 25(12), 2427-2433. https://doi.org/10.1021/cm400311v

New metal chalcogenides Ba4CuGa5Q12 (Q = S, Se) displaying strong infrared nonlinear optical response. / Kuo, Shu Ming; Chang, Yu Ming; Chung, In; Jang, Joon Ik; Her, Bo Hsian; Yang, Siao Han; Ketterson, John B.; Kanatzidis, Mercouri G; Hsu, Kuei Fang.

In: Chemistry of Materials, Vol. 25, No. 12, 25.06.2013, p. 2427-2433.

Research output: Contribution to journalArticle

Kuo, SM, Chang, YM, Chung, I, Jang, JI, Her, BH, Yang, SH, Ketterson, JB, Kanatzidis, MG & Hsu, KF 2013, 'New metal chalcogenides Ba4CuGa5Q12 (Q = S, Se) displaying strong infrared nonlinear optical response', Chemistry of Materials, vol. 25, no. 12, pp. 2427-2433. https://doi.org/10.1021/cm400311v
Kuo, Shu Ming ; Chang, Yu Ming ; Chung, In ; Jang, Joon Ik ; Her, Bo Hsian ; Yang, Siao Han ; Ketterson, John B. ; Kanatzidis, Mercouri G ; Hsu, Kuei Fang. / New metal chalcogenides Ba4CuGa5Q12 (Q = S, Se) displaying strong infrared nonlinear optical response. In: Chemistry of Materials. 2013 ; Vol. 25, No. 12. pp. 2427-2433.
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title = "New metal chalcogenides Ba4CuGa5Q12 (Q = S, Se) displaying strong infrared nonlinear optical response",
abstract = "A series of new metal chalcogenides Ba4CuGa5Q 12 (Q = S, S0.75Se0.25, Se) were synthesized using KBr flux at 750 C. The three compounds are isostructural and adopt the noncentrosymmetric space group P4{\`I}...21c. Crystal data are as follows: Ba4CuGa5S12, 1, a = 13.040(1) {\AA}, c = 6.304(1) {\AA}, and Z = 2; Ba4CuGa5S 9.00(1)Se2.92(1), 2, a = 13.1585(2) {\AA}, c = 6.3520(2) {\AA}, and Z = 2; Ba4CuGa5Se12, 3, a = 13.598(1) {\AA}, c = 6.527(1) {\AA}, and Z = 2. The three-dimensional framework in 1 is constructed by infinite columns ∞1[CuGa 4S10]7- that surround the discrete GaS 4 tetrahedra situated on a 4{\`I}... axis. The discrete GaS 4 tetrahedra on the stacking (112) planes and canted oriented edge-sharing CuS4 tetrahedra within the columns may account for the occurrence of strong second-harmonic generation (SHG) responses. Compounds 1-3 are transparent in the mid-infrared range and have the absorption edges at 2.82, 2.05, and 1.45 eV, respectively. The new nonlinear optical (NLO) materials are type-I nonphase matching at 693 nm and display strong SHG intensities that are ∼2.7, ∼2.6, and ∼1.1 times that of AgGaSe2 at 808 nm. Raman spectroscopic characterization of the compounds is reported.",
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AU - Kuo, Shu Ming

AU - Chang, Yu Ming

AU - Chung, In

AU - Jang, Joon Ik

AU - Her, Bo Hsian

AU - Yang, Siao Han

AU - Ketterson, John B.

AU - Kanatzidis, Mercouri G

AU - Hsu, Kuei Fang

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N2 - A series of new metal chalcogenides Ba4CuGa5Q 12 (Q = S, S0.75Se0.25, Se) were synthesized using KBr flux at 750 C. The three compounds are isostructural and adopt the noncentrosymmetric space group P4Ì...21c. Crystal data are as follows: Ba4CuGa5S12, 1, a = 13.040(1) Å, c = 6.304(1) Å, and Z = 2; Ba4CuGa5S 9.00(1)Se2.92(1), 2, a = 13.1585(2) Å, c = 6.3520(2) Å, and Z = 2; Ba4CuGa5Se12, 3, a = 13.598(1) Å, c = 6.527(1) Å, and Z = 2. The three-dimensional framework in 1 is constructed by infinite columns ∞1[CuGa 4S10]7- that surround the discrete GaS 4 tetrahedra situated on a 4Ì... axis. The discrete GaS 4 tetrahedra on the stacking (112) planes and canted oriented edge-sharing CuS4 tetrahedra within the columns may account for the occurrence of strong second-harmonic generation (SHG) responses. Compounds 1-3 are transparent in the mid-infrared range and have the absorption edges at 2.82, 2.05, and 1.45 eV, respectively. The new nonlinear optical (NLO) materials are type-I nonphase matching at 693 nm and display strong SHG intensities that are ∼2.7, ∼2.6, and ∼1.1 times that of AgGaSe2 at 808 nm. Raman spectroscopic characterization of the compounds is reported.

AB - A series of new metal chalcogenides Ba4CuGa5Q 12 (Q = S, S0.75Se0.25, Se) were synthesized using KBr flux at 750 C. The three compounds are isostructural and adopt the noncentrosymmetric space group P4Ì...21c. Crystal data are as follows: Ba4CuGa5S12, 1, a = 13.040(1) Å, c = 6.304(1) Å, and Z = 2; Ba4CuGa5S 9.00(1)Se2.92(1), 2, a = 13.1585(2) Å, c = 6.3520(2) Å, and Z = 2; Ba4CuGa5Se12, 3, a = 13.598(1) Å, c = 6.527(1) Å, and Z = 2. The three-dimensional framework in 1 is constructed by infinite columns ∞1[CuGa 4S10]7- that surround the discrete GaS 4 tetrahedra situated on a 4Ì... axis. The discrete GaS 4 tetrahedra on the stacking (112) planes and canted oriented edge-sharing CuS4 tetrahedra within the columns may account for the occurrence of strong second-harmonic generation (SHG) responses. Compounds 1-3 are transparent in the mid-infrared range and have the absorption edges at 2.82, 2.05, and 1.45 eV, respectively. The new nonlinear optical (NLO) materials are type-I nonphase matching at 693 nm and display strong SHG intensities that are ∼2.7, ∼2.6, and ∼1.1 times that of AgGaSe2 at 808 nm. Raman spectroscopic characterization of the compounds is reported.

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