title: Structural, electronic and magnetic properties of binary transition metal aluminum clusters: absence of electronic shell structure.
abstract: Single Cr, Mn, Fe, Co and Ni doped Al clusters having up to 12 Al atoms are studied using density functional methods. The global minima of structure for all the clusters are identified, and their relative stability and electronic and magnetic properties are studied. FeAl4 and CoAl3 are found to have enhanced stability and aromatic behavior. In contrast to binary transition metal alkali and transition metal alkaline earth clusters, spherical shell models cannot describe the electronic structure of transition metal aluminum clusters.
authors.affiliation: Harish-Chandra Research Institute, Chhatnag Road, Jhunsi, Allahabad 211019, India.
authors.forename: Vikas
authors.initials: V
authors.lastname: Chauhan
authors.forename: Akansha
authors.initials: A
authors.lastname: Singh
authors.forename: Chiranjib
authors.initials: C
authors.lastname: Majumder
authors.forename: Prasenjit
authors.initials: P
authors.lastname: Sen
mesh_terms: D000535:Aluminum / Q000737:chemistry*; D004581:Electronics; D004583:Electrons; D008280:Magnetics; D008956:Models, Chemical; D008958:Models, Molecular; D011789:Quantum Theory; D028561:Transition Elements / Q000737:chemistry*
chemical_list: D028561:Transition Elements; D000535:Aluminum