Open AccessThe structural stability and magnetism of Ag atomic chains
Author(s) -
Renquan Li,
Pan Chun-Ling,
Yuhua Wen,
Zhenye Zhu
Publication year - 2009
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.58.2752
Subject(s) - magnetism , zigzag , chain (unit) , materials science , condensed matter physics , atomic orbital , bond length , physics , crystallography , chemistry , geometry , quantum mechanics , crystal structure , mathematics , electron
The structural stability and magnetism of Ag atomic chains are studied by the firstprinciples calculations. The chain structures, such as the linear, zigzag, ladder and Tstructure which are formed by three linear chains, are studied. The results show that the linear structure is the most unstable geometry with the lowest cohesive energy. The Tstructure is the most stable geometry, showing the largest cohesive energy. The bond lengths in all the atomic chains studied are shorter than that in the bulk, indicating a stronger bonding strength in the atomic chains as compared with the bulk material. Besides, the study on the magnetism of Ag linear chain reveals that the linear structure could exhibit magnetism when the bond length is compressed by as large as 52%, although the equilibrium linear chain is nonmagnetic. By employing the Stoner criteria and the interaction picture of atomic orbitals, the reason for the possible magnetism of Ag linear chain are explained.