Research output: Contribution to journal › Article › peer-review
Growth, structure, and optical properties of nonlinear LiGa 0.55 In 0.45 Te 2 single crystals. / Krinitsin, Pavel; Yelisseyev, Alexander; Jiang, Xingxing et al.
In: Crystal Growth and Design, Vol. 19, No. 3, 06.03.2019, p. 1805-1814.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Growth, structure, and optical properties of nonlinear LiGa 0.55 In 0.45 Te 2 single crystals
AU - Krinitsin, Pavel
AU - Yelisseyev, Alexander
AU - Jiang, Xingxing
AU - Isaenko, Lyudmila
AU - Molokeev, Maxim
AU - Lin, Zheshuai
AU - Pugachev, Alexey
N1 - Publisher Copyright: Copyright © 2019 American Chemical Society.
PY - 2019/3/6
Y1 - 2019/3/6
N2 - In search of new nonlinear optical crystals for the mid-IR range, we grew single crystals of LiGa 0.55 In 0.45 Te 2 (LGITe) of optical quality; its structure was established, and the spectroscopic properties were studied. LGITe crystallizes in a tetragonal chalcopyrite-like (I42d) structure at 667 ± 5 °C. Crystals are transparent in the 0.76-14.8 μm spectral region with some absorption bands related to OH/H 2 O and Ge-O vibrations. Analysis of the Tauc plots showed that LGITe is a direct band gap semiconductor with the band gap E g = 1.837 eV at 300 K. The Raman spectrum for LGITe is very similar to that for LiGaTe 2 : the most intense band A 1 near 120 cm -1 corresponds to the Li-Te vibration. DFT calculations were carried out for the first time to simulate the energy band structure (band gap 1.67 eV), density of states (DOS), birefringence (0.049 at 2 μm), and nonlinear susceptibility (d 14 = d 36 = 48.73 pm/V). For ternary LiInTe 2 these parameters are n = 0.007 and d 14 = d 36 = 61.4 pm/V, respectively. The calculated optical properties indicate that LiGa 0.55 In 0.45 Te 2 is a promising mid-IR nonlinear optical crystal with nonlinear parameters higher than those of LiGaTe 2 .
AB - In search of new nonlinear optical crystals for the mid-IR range, we grew single crystals of LiGa 0.55 In 0.45 Te 2 (LGITe) of optical quality; its structure was established, and the spectroscopic properties were studied. LGITe crystallizes in a tetragonal chalcopyrite-like (I42d) structure at 667 ± 5 °C. Crystals are transparent in the 0.76-14.8 μm spectral region with some absorption bands related to OH/H 2 O and Ge-O vibrations. Analysis of the Tauc plots showed that LGITe is a direct band gap semiconductor with the band gap E g = 1.837 eV at 300 K. The Raman spectrum for LGITe is very similar to that for LiGaTe 2 : the most intense band A 1 near 120 cm -1 corresponds to the Li-Te vibration. DFT calculations were carried out for the first time to simulate the energy band structure (band gap 1.67 eV), density of states (DOS), birefringence (0.049 at 2 μm), and nonlinear susceptibility (d 14 = d 36 = 48.73 pm/V). For ternary LiInTe 2 these parameters are n = 0.007 and d 14 = d 36 = 61.4 pm/V, respectively. The calculated optical properties indicate that LiGa 0.55 In 0.45 Te 2 is a promising mid-IR nonlinear optical crystal with nonlinear parameters higher than those of LiGaTe 2 .
KW - PHASE-MATCHING PROPERTIES
KW - ELECTRONIC-STRUCTURE
KW - MID-IR
KW - LATTICE-VIBRATIONS
KW - 1ST PRINCIPLES
KW - LIGATE2
KW - GENERATION
KW - LIINSE2
KW - LIGASE2
KW - DAMAGE
UR - http://www.scopus.com/inward/record.url?scp=85062367465&partnerID=8YFLogxK
U2 - 10.1021/acs.cgd.8b01788
DO - 10.1021/acs.cgd.8b01788
M3 - Article
AN - SCOPUS:85062367465
VL - 19
SP - 1805
EP - 1814
JO - Crystal Growth and Design
JF - Crystal Growth and Design
SN - 1528-7483
IS - 3
ER -
ID: 18679110