title: Formation and Stability of Low-Dimensional Structures for Group VIIIB and IB Transition Metals: The Role of sd4Hybridization.
abstract: A quasi-sd4hybridization state for group VIIIB and IB face-centered cubic (FCC) transition metals in low-dimensional nanostructuresis identified, in contrast to the sd5hybridization state in bulk. For Au, a novel three-shelled nanowire is designed with a hexagonal close-packed core in the sd5hybridization, wrapped by FCC-(111) shell that adopts the quasi-sd4hybridization. This new nanostructure exhibits remarkable stability and electronic properties.
authors.affiliation: Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Ningbo Zhejiang 315201 P.R. China.
authors.forename: Jianhui
authors.initials: J
authors.lastname: Yang
authors.affiliation: Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Ningbo Zhejiang 315201 P.R. China.
authors.forename: Qiuju
authors.initials: Q
authors.lastname: Zhang
authors.affiliation: Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Ningbo Zhejiang 315201 P.R. China.
authors.forename: Liang
authors.initials: L
authors.lastname: Chen
authors.affiliation: Research and Development Center for Functional Crystals Beijing National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing 100190 P.R. China.
authors.forename: Gang
authors.initials: G
authors.lastname: Wang
authors.affiliation: Research and Development Center for Functional Crystals Beijing National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing 100190 P.R. China; Collaborative Innovation Center of Quantum Matter Beijing 100190 P.R. China.
authors.forename: Xiaolong
authors.initials: X
authors.lastname: Chen
keywords: Au nanowires; face‐centered cubic; first principles; sd hybridization; transition metal nanostructures