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The calculated band structure for GdBiTe3 is shown together with that of Bi2Te3 for comparison.
The calculated band structure and TDOS of GdBiTe3. With the strain, δc, defined by δc = (c − cexp)/cexp, five different strains of −5%, −2.5%, 0%, 2.5%, and 5% are calculated. The band structures for δc = −2.5% (a) and δc = 2.5% (b) are shown (solid lines) together with the result of no strain (i.e.,δc = 0) (dotted lines) for comparison. The bands along the Γ to T points are blown up to show clearly in the small boxes on the right side of each plot. Also, the calculated TDOS of δc = −5%, −2.5%, 0%, 2.5%, and 5% are shown in (c).
The calculated Seebeck coefficients, S, along the perpendicular and the in-plane directions as the function of temperature are shown for the strained GdBiTe3 together with that of Bi2Te3.
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