Chinese Journal of Lasers, Volume. 48, Issue 12, 1208003(2021)
Thermal Transport Behavior of Quaternary Nonlinear Optical Crystal Li2BaSnS4: First Principle Investigation
Fig. 1. Lattice thermal conductivities and phonon mode lattice thermal conductivities of LiGaS2 and Li2BaSnS4. (a) Temperature-dependent lattice thermal conductivities of LiGaS2 and Li2BaSnS4 along a, b, and c axis; (b) frequency-dependent phonon mode contribution to the lattice thermal conductivities of LiGaS2 and Li2BaSnS4 along c axis at room temperature (300 K)
Fig. 2. Phonon dispersion and phonon density of states. (a) Li2BaSnS4; (b) LiGaS2
Fig. 3. Outer group product of group velocities of Li2BaSnS4 and LiGaS2 in frequency domain
Fig. 4. Analysis of strength of bonds of Li2BaSnS4 and LiGaS2. (a) Distribution of electron localization function in plane(0
Fig. 6. Phonon lifetime. (a) Phonon lifetime of Li2BaSnS4 and LiGaS2; (b) phonon lifetime of normal progress and umklapp progress of LiGaS2; (c) phonon lifetime of normal progress and umklapp progress of Li2BaSnS4
Fig. 7. Phonon anharmonic properties of Li2BaSnS4 and LiGaS2. (a) Mode Grüneisen parameters of Li2BaSnS4 and LiGaS2 in frequency domain; (b) weighted joint density of states of Li2BaSnS4 and LiGaS2
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Guojun Liang, Yanlu Li, Lei Wei, Xiufeng Cheng, Xian Zhao. Thermal Transport Behavior of Quaternary Nonlinear Optical Crystal Li2BaSnS4: First Principle Investigation[J]. Chinese Journal of Lasers, 2021, 48(12): 1208003
Category: nonlinear optics
Received: Feb. 5, 2021
Accepted: Mar. 9, 2021
Published Online: Jun. 7, 2021
The Author Email: Li Yanlu (liyanlu@sdu.edu.cn), Zhao Xian (xianzhao@sdu.edu.cn)