Engineering half-metallicity in wurtzite Zn 1−2 x Mn x A x S (A = Mo, Ni) for enhanced optoelectronic and thermoelectric performance: a DFT study

RSC Advances 2026 Open access

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Authors: W. Amghar, Abdelmajid Fakhim Lamrani, K. Sadki, F. E. EL Mabchour, E. Maskar, A. El hat, Samira Otmani, R. Ahl Laamara
DOI: 10.1039/d5ra09710j
Cited by: 1
References: 65

Abstract

DFT calculations reveal that (Mn, Mo) and (Mn, Ni) codoped ZnS exhibit artificial half-metallicity driven by p–d hybridization, ferrimagnetic ground-state stabilization, redshifted optical response, and enhanced thermoelectric performance for multifunctional applications.

Fields of Study & Subjects

Advanced Thermoelectric Materials and Devices Heusler alloys: electronic and magnetic properties Chalcogenide Semiconductor Thin Films

Publication details

Journal / source
RSC Advances
Publisher
Royal Society of Chemistry (RSC)
Volume
16
Issue
2
Pages
1622–1642
Publication date
1 January 2026
Language
EN