Abstract
Abstract
Here, we study the thermoelectric properties of topological semimetal CoSi in the temperature range 300–800 K by using combined experimental and density functional theory (DFT) based methods. CoSi is synthesized using arc melting technique and the Rietveld refinement gives the lattice parameters of a = b = c = 4.445 Å. The measured values of Seebeck coefficient (S) shows the non-monotonic behaviour in the studied temperature range with the value of ∼−81 μV K−1 at room temperature. The |S| first increases till 560 K (∼−93 μV K−1) and then decreases up to 800 K (∼−84 μV K−1) indicating the dominating n-type behaviour in the full temperature range. The electrical conductivity, σ (thermal conductivity, κ) shows the monotonic decreasing (increasing) behaviour with the values of
∼
5.2
×
1
0
5
(12.1 W m−1 K−1) and
∼
3.6
×
1
0
5
(14.2 W m−1 K−1) Ω−1 m−1 at 300 K and 800 K, respectively. The κ exhibits the temperature dependency as, κ ∝ T
0.16. The DFT based Boltzmann transport theory is used to understand these behaviour. The multi-band electron and hole pockets appear to be mainly responsible for deciding the temperature dependent transport behaviour. Specifically, the decrease in the |S| above 560 K and change in the slope of σ around 450 K are due to the contribution of thermally generated charge carriers from the hole pockets. The temperature dependent relaxation time (τ) is computed by comparing the experimental σ with calculated σ/τ and it shows temperature dependency of 1/T
0.35. Further this value of τ is used to calculate the temperature dependent electronic part of thermal conductivity (κ
e) and it gives a fairly good match with the experiment. Present study suggests that electronic band-structure obtained from DFT provides a reasonably good estimate of the transport coefficients of CoSi in the high temperature region of 300–800 K.
Subject
Condensed Matter Physics,General Materials Science
Cited by
4 articles.
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