Optoelectronic and thermoelectric response of novel ytterbium and thorium-based Zintl phosphides semiconductors YbZn2P2 and ThCu2P2

Due to their low lattice thermal conductivity and good thermoelectric characteristics, Zintl phases have gained outstanding interest in the recent years. Few experimental and no significant theoretical reports have been done on YbZn 2 P 2 and ThCu 2 P 2 molecules. Both have been explained in terms o...

Full description

Saved in:
Bibliographic Details
Published in:European physical journal plus 2024-02, Vol.139 (2), p.197, Article 197
Main Authors: Ullah, Hayat, Khalil, Fatima, Yasin, Sadia, Hamid, Uzma, Alsalmah, Hessa A., Murtaza, G.
Format: Article
Language:English
Subjects:
Applied and Technical Physics
Approximation
Atomic
Band structure of solids
Complex Systems
Condensed Matter Physics
Crystal structure
Electron spin
Electrons
Energy
Engineering
Heat conductivity
Industrial applications
Investigations
Mathematical and Computational Physics
Molecular
Optical and Plasma Physics
Optical properties
Optimization
Optoelectronics
Phosphides
Physics
Physics and Astronomy
Regular Article
Semiconductors
Theoretical
Thermal conductivity
Thermoelectricity
Thorium
Ytterbium
Citations: Items that this one cites
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Due to their low lattice thermal conductivity and good thermoelectric characteristics, Zintl phases have gained outstanding interest in the recent years. Few experimental and no significant theoretical reports have been done on YbZn 2 P 2 and ThCu 2 P 2 molecules. Both have been explained in terms of their structural, electronic, optical, and thermoelectric properties in the trigonal crystal structure of chemical formula AB 2 C 2 . The structural parameters obtained in the current work using GGA approximation are consistent with experiment. In addition to TB-mBJ, the electronic band structure, density of states, optoelectronic, and thermoelectric characteristics of YbZn 2 P 2 and ThCu 2 P 2 were more improved using the spin orbit coupling. Electronic band structure predicts the narrow band gap semiconductor nature of these compounds. Moreover, ThCu 2 P 2 shows high absorption in the visible region compared to YbZn 2 P 2 which shows good response in the ultraviolet region. The maximum reflectivity for both compounds is higher than 55% indicating their utility for shielding purposes in the high energy region. Based on their thermoelectric properties, these compounds are useful for variety of industrial applications.
ISSN:2190-5444
2190-5444
DOI:10.1140/epjp/s13360-024-04992-9