Инд. авторы:	Krinitsin P.G., Yelisseyev A.P., Jiang X.X., Isaenko L., Molokeev M., Lin Z.S., Pugachev A.
Заглавие:	Growth, Structure, and Optical Properties of Nonlinear LiGa0.55In0.45Te2 Single Crystals
Библ. ссылка:	Krinitsin P.G., Yelisseyev A.P., Jiang X.X., Isaenko L., Molokeev M., Lin Z.S., Pugachev A. Growth, Structure, and Optical Properties of Nonlinear LiGa0.55In0.45Te2 Single Crystals // Crystal Growth & Design. - 2019. - Vol.19. - Iss. 3. - P.1805-1814. - ISSN 1528-7483. - EISSN 1528-7505.
Внешние системы:	DOI: 10.1021/acs.cgd.8b01788; РИНЦ: 38703063; SCOPUS: 2-s2.0-85062367465; WoS: 000460996600041;
Реферат:	eng: In search of new nonlinear optical crystals for the mid-IR range, we grew single crystals of LiGa0.55In0.45Te2 (LGITe) of optical quality; its structure was established, and the spectroscopic properties were studied. LGITe crystallizes in a tetragonal chalcopyrite-like (I (4) over bar 2d) structure at 667 +/- 5 degrees C. Crystals are transparent in the 0.76-14.8 mu m spectral region with some absorption bands related to OH/H2O 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 LiGaTe2: 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 similar to 1.67 eV), density of states (DOS), birefringence (0.049 at 2 mu m), and nonlinear susceptibility (d(14) = d(36) = -48.73 pm/V). For ternary LiInTe2 these parameters are Delta n = 0.007 and d(14) = d(36) = -61.4 pm/V, respectively. The calculated optical properties indicate that LiGa0.55In0.45Te2 is a promising mid-IR nonlinear optical crystal with nonlinear parameters higher than those of LiGaTe2.
Ключевые слова:	Spectroscopic property; Optical qualities; Nonlinear susceptibilities; Nonlinear optical crystal; Non-linear parameters; Direct band gap semiconductors; Density of state; Calculated optical properties; Vibration analysis; Single crystals; Tellurium compounds; Optical properties; Nonlinear optics; Lithium compounds; Indium compounds; Germanium compounds; Gallium compounds; Energy gap; Crystal structure; Copper compounds; Semiconducting tellurium;
Издано:	2019
Физ. характеристика:	с.1805-1814