Author Affiliations
1Institute of Crystal Materials, State Key Laboratory of Crystal Materials, Shandong University, Jinan, Shandong 250100, China2Advanced Materials Institute, Qilu University of Technology (Shandong Academy of Sciences), Jinan, Shandong 250014, China3Center for Optics Research and Engineering, Shandong University, Qingdao, Shandong 266237, Chinashow less
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(00) of Li2BaSnS2; (b) distribution of electron localization function in plane (010) of LiGaS2; (c) crystal orbital Hamilton population of Sn-S and Ga-S
Fig. 5. Crystal structures. (a) Li2BaSnS4; (b) LiGaS2
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
Compound | Contribution /% |
---|
TA1 | TA2 | LA | Low-frequency optical phonons | Other optical phonons |
---|
LiGaS2 | 12.7 | 19.1 | 15.8 | 47.1 | 5.3 | Li2BaSnS4 | 20.3 | 18.5 | 19.8 | 31.0 | 10.4 |
|
Table 1. Contributions of TA1, TA2, LA phonons, low-frequency optical phonons, and other optical phonons to total lattice thermal conductivities of LiGaS2 and Li2BaS