2024/07/02 by Anasua Khan, Khan, Anasua, Debdatta Banerjee +11
Materials Science · #FOS: Physical sciences #Magnetic and transport properties of perovskites and related materials #Materials Science (cond-mat.mtrl-sci)
paper · pdf · doi:10.48550/arxiv.2407.02407
openalex publication_date 2024/07/02 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We present Raman spectroscopy results backed by first-principles calculations and investigate the nature of possible spin-phonon coupling (SPC) in a Gd-doped Y2CoMnO6 (YGCMO) double perovskite oxide. The influence of Gd substitution, A-site ordering, and anti-site disorder is also studied. YGCMO exhibits anti-site disorder leading to both ferromagnetic (between Co and Mn) and antiferromagnetic interactions (Co-Co, Mn-Mn, Gd-Co/Mn), making the SPC quite intriguing. An analysis of the temperature-dependent phonon frequencies for the stretching modes of YGCMO indicates that SPC here possibly emerges from the simultaneous presence of competing ferromagnetic and antiferromagnetic interactions. The SPC strength comes out to be 0.29 cm-1. Our density functional theory (DFT) calculations show that Phonon modes shifted towards lower frequency with Gd doping. Similarly, A-site ordring and anti-site disorder significantly alter the Raman spectra. Experimental findings are also corroborated by first-principles DFT calculations, which indicate that anti-site disorder and Gd doping enhances SPC in YGCMO. This implies a strong influence of A-site cationic radii, and B-site (Co/Mn) ordering on SPC in the bulk double perovskite systems. The phonon dynamics of YGCMO are, therefore, correlated with magnetic ordering, indicating potential applications in spintronics devices.