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Beilstein J. Nanotechnol. 2021, 12, 1101–1114, doi:10.3762/bjnano.12.82
Figure 1: The unit cell of the π-SnSe phase with 64 atoms (Sn = 32, Se = 32) which has a space group P213 (no...
Figure 2: Volume–energy optimization curve of the π-SnSe fitted to the Murnaghan’s equation of state. The rel...
Figure 3: Density of states plot for the π-SnSe alloy calculated by the meta GGA-mBJ functional.
Figure 4: Projected band structure plot for the π-SnSe calculated by the meta GGA-mBJ functional.
Figure 5: Variation of the thermal expansion coefficient as a function of (a) temperature and (b) pressure fo...
Figure 6: Variation of heat capacity as a function of (a) temperature and (b) pressure for the π-SnSe alloy.
Figure 7: Variation of the primitive unit cell volume as a function of (a) temperature and (b) pressure for t...
Figure 8: Variation of Debye temperature (θD) and the Grüneisen parameter (γ) at different temperature values...
Figure 9: Temperature-dependent (a) Seebeck coefficient (S); (b) electrical conductivity (σ/τ); (c) electroni...
Figure 10: Figure of merit of the cubic π-SnSe as a function of temperature.
Figure 11: Variation of the (a) real ε1(ω) and (b) imaginary ε2(ω) parts of the dielectric function. (c) The a...
Figure 12: Calculated (a) reflectivity R(ω), (b) extinction coefficient K(ω), (c) energy loss function and (d)...