ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Study of half-metallicity, structural, thermodynamic, mechanical, magnetic and optical attributes of quaternary Heusler (Ni/Pt)MnSbV alloys for spintronics and optoelectronics

Norah Salem Alsaiari, Beriham Basha, Faiza Firdous, Quratul Ain, M. S. Al-Buriahi, and Junaid Munir

Department of Chemistry, College of Science, Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia

E-mail: junaid_ij2000@yahoo.com

Received: 1 March 2026  Accepted: 22 April 2026

Abstract:

Quaternary Heusler alloys enable next-generation spintronic and optoelectronic technologies through their highly tenable electro-magnetic properties. We have studied the ground state properties of quaternary (Ni/Pt)MnSbV Heusler alloys using the mBJ alongside the SOC effect. The stability of both alloys is established by negative formation energies and optimizing curves. The positive phonon frequencies depict their dynamical stability. By using elastic parameter computation, both alloys have achieved mechanical stability. The ductile character of PtMnSbV and brittle nature of NiMnSbV is confirmed. A higher H_V value for PtMnSbV as compared to NiMnSbV suggests that PtMnSbV has better pressure indentation resistance. The spin-up states reveal a metallic nature and the spin-dn states behave like semiconductors, with energy gaps of 0.58 eV and 0.59 eV for NiMnSbV and 0.47 eV and 0.48 eV for PtMnSbV with mBJ and mBJ + SOC. Magnetic behavior of alloys is mostly dependent on the contributions from V and Sb atoms. The contour plots for electron density predict the ionic character for both alloys. Several optical parameters help to assess the optical response and for both alloys, the visible spectrum shows a large absorption. The calculated characteristics suggest that the investigated alloys have potential for use in optoelectronic and spintronics.

Keywords: Spin-polarized; Half-metallic; Optical properties; Quaternary Heusler alloys

Full paper is available at www.springerlink.com.

DOI: 10.1007/s11696-026-04944-w

Chemical Papers 80 (8) 9189–9202 (2026)