Dynamical stability and multifunctional properties of Ni 2+ /Pr 3+ co-doped CsPbCl 3 perovskite: insights from first-principles lattice dynamics and carrier transport

RSC Advances 2026 Open access

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Authors: Sikander Azam, Asif Zaman, Qaiser Rafiq, Amin Ur Rahman, Saleem Ayaz Khan
DOI: 10.1039/d5ra07356a
Cited by: 4
References: 47

Abstract

First-principles analysis shows that Ni 2+ /Pr 3+ co-doping in CsPbCl 3 suppresses soft phonon modes, enhances elastic stability, tunes band edges via d–f interactions, and improves optical absorption and carrier transport.

Fields of Study & Subjects

Perovskite Materials and Applications Thermal Expansion and Ionic Conductivity Heusler alloys: electronic and magnetic properties

Publication details

Journal / source
RSC Advances
Publisher
Royal Society of Chemistry (RSC)
Volume
16
Issue
1
Pages
55–75
Publication date
1 January 2026
Language
EN