scholarly journals Thermoelectric properties of p-type LiZnSb: Assessment of ab initio calculations

2009 ◽  
Vol 105 (6) ◽  
pp. 063701 ◽  
Author(s):  
Eric S. Toberer ◽  
Andrew F. May ◽  
Cidney J. Scanlon ◽  
G. Jeffery Snyder
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Thermoelectric Properties ◽  
P Type

Opto-electronic and thermoelectric properties of MgIn2X4 (X = S, Se) spinels via ab-initio calculations

2019 ◽  
Vol 88 ◽  
pp. 168-173 ◽  
Author(s):  
Q. Mahmood ◽  
M. Rashid ◽  
Qurat-ul-Ain ◽  
N.A. Noor ◽  
M. Gul Bahar Ashiq ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Thermoelectric Properties

scholarly journals Structural, electronic, magnetic and thermoelectric properties of Full-Heusler Fe2MnSi: Ab initio calculations

2020 ◽  
Vol 18 ◽  
pp. 103252 ◽  
Author(s):  
Y. El Krimi ◽  
R. Masrour ◽  
A. Jabar ◽  
S. Labidi ◽  
M. Bououdina ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Thermoelectric Properties ◽  
Full Heusler

Insights into the thermoelectric properties of SnSe from ab initio calculations

2017 ◽  
Vol 19 (20) ◽  
pp. 12804-12815 ◽  
Author(s):  
Robert L. González-Romero ◽  
Alex Antonelli ◽  
Juan J. Meléndez
Keyword(s):  
Relaxation Time ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Detailed Analysis ◽  
Thermoelectric Properties ◽  
Phonon Spectrum ◽  
Good Description ◽  
Temperature Dependent ◽  
Thermoelectric Coefficient

A good description of the thermoelectric coefficient is achieved using a temperature-dependent relaxation time and a detailed analysis of the phonon spectrum.

Investigating the key role of carrier transport mechanism in SnSe nanoflakes with enhanced thermoelectric power factor

2021 ◽  
Author(s):  
Srikanth Mandava ◽  
Neeta Bisht ◽  
Anjali Saini ◽  
Mukesh Kumar Bairwa ◽  
Khasimsaheb Bayikadi ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Ab Initio ◽  
Spark Plasma Sintering ◽  
Thermoelectric Properties ◽  
Power Factor ◽  
Temperature Range ◽  
Carrier Scattering ◽  
Plasma Sintering ◽  
Spark Plasma ◽  
P Type

Abstract A novel SnSe nanoake system is explored for its thermoelectric properties from both experiments and ab initio study. The nanoakes of the low temperature phase of SnSe (Pnma) are synthesized employing a fast and efficient refluxing method followed by spark plasma sintering at two different temperatures. We report an enhanced power factor (12 W/mK2 - 67 W/mK2 in the temperature range 300 K-600 K) in our p-type samples. We find that the prime reason for a high PF in our samples is a significantly improved electrical conductivity (1050 S/m - 2180 S/m in the temperature range 300 K-600 K). From our ab initio band structure calculations accompanied with the models of temperature and surface dependent carrier scattering mechanisms, we reveal that an enhanced electrical conductivity is due to the reduced carrier-phonon scattering in our samples. The trans- port calculations are performed using the Boltzmann transport equation within relaxation time approximation. With our combined experimental and theoretical study, we demonstrate that the thermoelectric properties of p-type Pnma-SnSe could be improved by tuning the carrier scattering mechanisms with a control over the spark plasma sintering temperature.

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