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 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

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.

Thermal, electronic and thermoelectric properties of TiNiSn and TiCoSb based quaternary half Heusler alloys obtained from ab initio calculations

2020 ◽  
Vol 4 (2) ◽  
pp. 895-910 ◽  
Author(s):  
Mukesh K. Choudhary ◽  
P. Ravindran
Keyword(s):  
Theoretical Analysis ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Thermoelectric Properties ◽  
Valence Electron ◽  
Heusler Alloys

The theoretical analysis of the effect of multi-site substitution based on the 18 valence electron count (VEC) rule on the electrical, thermal and thermoelectric properties of two well known half Heusler (HH) alloys, TiNiSn and TiCoSb, are reported.

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