Chemical Bonding Trends in Y₂<i>M</i>₃Si₅ (<i>M</i> = Mn-Cu, Tc-Pd, Re-Pt): A Study within the Broad <i>R</i>₂<i>M</i>₃<i>X</i>₅ Intermetallic Family.

ABSTRACT: A comparative analysis of the chemical bonding in the Y₂M₃Si₅ (M = Mn-Cu, Tc-Pd, Re-Pt) intermetallic compounds is presented, aiming at elucidating the chemical factors governing their crystallization into tetragonal (tP40-Sc₂Fe₃Si₅), monoclinic (mS40-Lu₂Co₃Si₅), or orthorhombic (oI40-U₂Co₃Si₅) structures. This study provides the first comprehensive bonding investigation of Y₂M₃Si₅ compounds with M = Fe, Co, and Ni, each adopting one of the three structure types. Employing projected crystal orbital Hamilton population curves (pCOHP), integrated pCOHP (IpCOHP), and integrated crys

SUBMITTER: Palla G 

PROVIDER: S-EPMC12570129 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature