Data from: Role of copper doping in modulating the thermoelectric properties of Eu11Zn4Sn2As12
Data files
Jun 04, 2026 version files 104.44 KB
-
Eu11Zn4Sn2As12_Cu_Doping.zip
99.46 KB
-
README.md
4.98 KB
Abstract
Eu11Zn4Sn2As12 is a p-type semiconductor that has been proposed to undergo 3D-to-2D electronic transport as the carrier concentration increases. This commensurately modulated structure in space group R3̅m has been shown to improve its thermoelectric properties upon Na doping, concurrently decreasing electrical resistivity while maintaining a large Seebeck coefficient. In this study, Eu11Zn4Sn2As12 was doped with Cu with the goal of substituting in the [Zn2As3]5− defect hexagonal layers to improve electrical transport. Thermal conductivity, carrier concentration, mobility, electrical resistivity, and the Seebeck coefficients as a function of temperature from 300 to 600 K were measured as a function of Cu content. A maximum zT600K of 0.24 for Eu11Zn4-xCuxSn2As12, x = 0.6, was reached.
Dataset DOI: 10.5061/dryad.d7wm37qgk
Description of the data and file structure
The folder entitled Eu11Zn4Sn2As12_Cu_Doping.zip contains 4 .csv files, one for each composition of Eu11Zn4−x*CuxSn2As12 (x = 0.0, 0.2, 0.4, 0.6)
The data are provided in column with room Temperature powder X-ray diffraction, electrical resistivity as a function of temperature (300-600 K), Seebeck coefficients as a function of temperature (300-600 K), thermal conductivity as a function of temperature (300-600 K), carrier concentration as a function of temperature (300-600 K), and Hall mobility as a function of temperature (300-600 K).
Folder: Eu11Zn4Sn2As12_Cu_Doping.zip
Description: Contains 4 *.csv files:
- Eu11Zn4-xCuxSn2As12_x=0
- Eu11Zn4-xCuxSn2As12_x=0.2
- Eu11Zn4-xCuxSn2As12_x=0.4
- Eu11Zn4-xCuxSn2As12_x=0.6
Files and variables
File: Eu11Eu4-xCuxSn2As12_x=0.0
Room temperature powder X-ray diffraction (PXRD) data are provided in columns A and B, with two-theta/degree (column A) and intensity/arbitrary units (au) (column B). Column C is empty. Resistivity vs Temperature data are provided in columns D and E), with Temperature/K (column D) and resistivity/mOhm cm (column E). Column F is empty. Seebeck coefficient vs Temperature data is provided in Columns G and H, with Temperature/K and Seebeck coefficient/µV/K. Column I is empty. Thermal conductivity vs Temperature data are provided in columns J and K, with Temperature/K (column J) and thermal conductivity/W/m K (column K). Column L is empty. Carrier concentration vs Temperature data are found in columns M and N, with Temperature/K (column M) and carrier concentration/h+ cm -3 (column N). Hall mobility vs Temperature is provided in columns O and P, with Temperature/K (column O) and Hall mobility/cm2 V -1 s -1 (column P).
File: Eu11Eu4-xCuxSn2As12_x=0.2
Room temperature powder X-ray diffraction (PXRD) data are provided in columns A and B, with two-theta/degree (column A) and intensity/arbitrary units (au) (column B). Column C is empty. Resistivity vs Temperature data are provided in columns D and E), with Temperature/K (column D) and resistivity/mOhm cm (column E). Column F is empty. Seebeck coefficient vs Temperature data (measured twice to show reproducibiity) is provided in Columns G-J, with Temperature/K and Seebeck coefficient/µV/K. Column K is empty. Thermal conductivity vs Temperature data are provided in columns L and M, with Temperature/K (column L) and thermal conductivity/W/m K (column M). Column N is empty. Carrier concentration vs Temperature data are found in columns O and P, with Temperature/K (column O) and carrier concentration/h+ cm -3 (column P). Hall mobility vs Temperature is provided in columns Q and R, with Temperature/K (column Q) and Hall mobility/cm2 V -1 s -1 (column R).
File: Eu11Zn4-xCuxSn2As12_x=0.4
Room temperature powder X-ray diffraction (PXRD) data are provided in columns A and B, with two-theta/degree (column A) and intensity/arbitrary units (au) (column B). Column C is empty. Resistivity vs Temperature data are provided in columns D and E), with Temperature/K (column D) and resistivity/mOhm cm (column E). Column F is empty. Seebeck coefficient vs Temperature data (measured twice to show reproducibiity) is provided in Columns G-J, with Temperature/K and Seebeck coefficient/µV/K. Column K is empty. Thermal conductivity vs Temperature data are provided in columns L and M, with Temperature/K (column L) and thermal conductivity/W/m K (column M). Column N is empty. Carrier concentration vs Temperature data are found in columns O and P, with Temperature/K (column O) and carrier concentration/h+ cm -3 (column P). Hall mobility vs Temperature is provided in columns Q and R, with Temperature/K (column Q) and Hall mobility/cm2 V -1 s -1 (column R).
File: Eu11Zn4-xCuxSn2As12_x=0.6
Room temperature powder X-ray diffraction (PXRD) data are provided in columns A and B, with two-theta/degree (column A) and intensity/arbitrary units (au) (column B). Column C is empty. Resistivity vs Temperature data are provided in columns D and E), with Temperature/K (column D) and resistivity/mOhm cm (column E). Column F is empty. Seebeck coefficient vs Temperature data is provided in Columns G and H, with Temperature/K and Seebeck coefficient/µV/K. Column I is empty. Thermal conductivity vs Temperature data are provided in columns J and K, with Temperature/K (column J) and thermal conductivity/W/m K (column K). Column L is empty. Carrier concentration vs Temperature data are found in columns M and N, with Temperature/K (column M) and carrier concentration/h+ cm -3 (column N). Hall mobility vs Temperature is provided in columns O and P, with Temperature/K (column O) and Hall mobility/cm2 V -1 s -1 (column P).
The samples, Eu11Zn4-xCuxSn2As12 (x = 0.0, 0.2, 0.4, 0.6) were synthesized and analyzed by powder X-ray diffraction and pressed into dense pellets by Spark Plasma Sintering. The pellets were ≥ 98 % dense by the Archimedes method. Scanning electron microscopy (SEM) and energy-dispersive spectroscopy were obtained and provided in the publication's supporting information. Thermal conductivity, carrier concentration, mobility, electrical resistivity, and the Seebeck coefficients were collected as a function of temperature from 300 to 600 K.
Powder X-Ray Diffraction: The sintered sample pellets were ground in a mortar and pestle for PXRD analysis. Samples were plated onto a zero-background X-ray quartz plate, and diffraction was performed with a Bruker D8 Advance Eco diffractometer with Cu Kα radiation (λ = 1.5405 Å) at 40 kV and 25 mA at room temperature. Data was collected with a 0.01 step size and a 2θ range from 20° - 80°.
Thermal Conductivity: A Netzsch Laser Flash Analysis (LFA) 475 Microflash instrument was used to measure the thermal diffusivity of the pellets (polished flat and parallel and sprayed with graphite to ensure laser absorption). Thermal conductivity was calculated using thermal diffusivity using the equation κ = λδCp, where κ is thermal conductivity, λ is thermal diffusivity, δ is the sample density, and Cp is the Dulong-Petit heat capacity.
Seebeck, Resistivity, and Hall Measurement: Seebeck coefficient measurements were obtained from a custom-built instrument under nitrogen atmosphere and pressure of 300 Torr from 300 to 600K. Resistivity and Hall measurements were obtained with an in-house-built instrument using the van der Pauw geometry. Hall coefficient measurements used 80 mA current and 1 T magnetic field.