Work

Effects of alkali metal element substitution on the thermoelectric properties of β-Zn4Sb3

Year: 2020

Type: article

Abstract: The effects of alkali metal elements Na, Li, and K on the electronic structure and thermoelectric properties of β -Zn 4 Sb 3 were extensively studied based on first-principles electronic structure calculations and Boltzmann transport theories. We found that these alkali metal elements with s orbitals could bring resonant distortion in the electronic density of states (DOS). The effects of these resonant peaks on the thermoelectric properties of β -Zn 4 Sb 3 were analyzed. And the results showed that a ∼13/13/20-fold increase on the room-temperature Seebeck coefficient of β -Zn 4 Sb 3 is achieved due to Na/Li/K doping respectively. Accordingly, the optimizing power factor/thermoelectric figure of merit of β -Zn 4 Sb 3 gets an about 1.69/1.43-fold increase at room temperature upon Na doping. And their corresponding optimal Fermi levels of three doped compounds all lie near and below the valence band maximum of the host.

Source: Materials Research Express

DOI: 10.1088/2053-1591/ab726f

Authors: Mian Liu, Kun Xu, Xiaoying Qin, Changsong Liu, Zhe Li

Institutions: Chinese Academy of Sciences, Qujing Normal University, Institute of Solid State Physics

Language: English

Topic: Advanced Thermoelectric Materials and Devices

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

SDG: Affordable and clean energy

Open Access status: gold

Estimated APC paid: $2,000