Exploring the mechanical, vibrational optoelectronic, and thermoelectric properties of novel half-Heusler FeTaX (X = P, As): a first-principles study-Reference-Cited by-同舟云学术

Exploring the mechanical, vibrational optoelectronic, and thermoelectric properties of novel half-Heusler FeTaX (X = P, As): a first-principles study

Published:2024 Issue:6 Volume:14 Page:4165-4178
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Geleta Tesfaye Abebe¹²^ORCID,Behera D.³,Sharma Ramesh³^ORCID,Al-Anazy Murefah mana⁴,Yousef El Sayed⁵⁶,Srivastava Vipul⁷⁸,Moayad A. J. A.⁹

Affiliation:

1. Graduate Institute of Applied Science and Technology, National Taiwan University of Science and Technology, Taipei 10607, Taiwan

2. MacDermid Alpha Electronics Solutions Company, Taoyuan 32062, Taiwan

3. Department of Applied Science, Feroze Gandhi Institute of Engineering and Technology, Raebareli, Uttar Pradesh, India

4. Department of Chemistry, College of Sciences, Princess Nourah bint Abdulrahman University (PNU), P. O. Box 84428, 11671, Riyadh, Saudi Arabia

5. Research Center for Advanced Materials Science (RCAMS), King Khalid University, P. O. Box 9004, Abha 61413, Saudi Arabia

6. Department of Physics, Faculty of Science, King Khalid University, P. O. Box 9004, Abha, Saudi Arabia

7. Department of Physics, School of Chemical Engineering and Physical Sciences, Lovely Professional University, Phagwara, Punjab 144411, India

8. Department of Research Impact & Outcome, Research & Development Cell, Lovely Professional University, Phagwara, Punjab 144411, India

9. Department of Materials Science, Malawi University of Science and Technology, P. O. Box 5196, Limbe, Malawi

Abstract

The structural, electronic, optical, and thermoelectric characteristics of half-Heusler (HH) FeTaX (X = P, As) are predicted by the FP-LAPW method. The findings demonstrate both materials have dynamic stability and high power factors, reflecting their potential usage in thermoelectric devices.

Funder

Princess Nourah Bint Abdulrahman University

King Khalid University

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/RA/D3RA08317A

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