title: Alternative low-symmetry structure for 13-atom metal clusters.
abstract: The atomic geometry, electronic structure, and magnetic moment of 4d transition-metal clusters with 13 atoms are studied by pseudopotential density-functional calculations. We find a new buckled biplanar structure with a C(2v) symmetry stabilized by enhanced s-d hybridization. It has a lower energy than the close-packed icosahedral or cuboctahedral structure for elements with more than half-filled d shells. The magnetic moments of this buckled biplanar structure are found to be smaller than those of the icosahedral structure and closer to available experimental results.
authors.affiliation: Department of Physics, National Dong Hwa University, Hualien 974, Taiwan, Republic of China.
authors.forename: C M
authors.initials: CM
authors.lastname: Chang
authors.forename: M Y
authors.initials: MY
authors.lastname: Chou