Table 1 Calculated properties related to carrier-phonon coupling in CuSbSe2 along different principal axes
From: Structural and electronic features enabling delocalized charge-carriers in CuSbSe2
a | b | c | Averagea | |
|---|---|---|---|---|
\({a}_{{{\rm{o}}}}\,({{\text{\AA }}})\) | 6.457 | 4.034 | 14.929 | |
\({E}_{{{\rm{d}}}}^{{{\rm{VBM}}}}\)(eV) | 1.16 | 1.93 | 2.11 | 1.73 |
\({E}_{{{\rm{d}}}}^{{{\rm{CBM}}}}\) (eV) | 6.60 | 6.32 | 6.62 | 6.51 |
\({C}_{{{\rm{iii}}}}\,({GPa})\) | 75.5 | 81.7 | 60.4 | 41.6 |
\({g}_{{{\rm{ac}}}}^{{{\rm{VBM}}}}\) | 1 × 10−3 | 3 × 10−3 | 3 × 10−3 | 2 × 10−3 |
\({g}_{{{\rm{ac}}}}^{{{\rm{CBM}}}}\) | 7 × 10−3 | 1.0 × 10−2 | 1.0 × 10−2 | 9 × 10−3 |
\({\epsilon }_{\infty }\) | 10.1 | 12.5 | 11.4 | 11.3 |
\({\epsilon }_{{{\rm{stat}}}}\) | 12.0 | 40.4 | 16.5 | 23.0 |
\({m}_{{{\rm{h}}}}^{*}\) | 1.44 | 1.30 | 2.38 | 1.60 |
\({m}_{{{\rm{e}}}}^{*}\) | 0.29 | 0.41 | 0.94 | 0.43 |
\({\alpha }_{{{\rm{h}}}}\) | 0.55 | 1.77 | 1.17 | 1.59 |
\({\alpha }_{{{\rm{e}}}}\) | 0.25 | 0.99 | 0.73 | 0.82 |
\({E}_{{{\rm{b}}}}\) (meV) | 22.3 | 2.6 | 33.6 | 8.7 |
