Using spin density functional theory, we study the electronic and magnetic properties of atomically thin, suspended chains containing silver and oxygen atoms in an alternating sequence. Chains longer than 4 atoms develop a half-metallic ground state implying fully spin-polarized charge carriers. The conductances of the chains exhibit weak even-odd oscillations around an anomalously low value of 0.1G(0) (G(0) = 2e(2)/h) which coincide with the averaged experimental conductance in the long chain limit. The unusual conductance properties are explained in terms of a resonating-chain model, which takes the reflection probability and phase shift of a single bulk-chain interface as the only input. The model also explains the conductance oscillations for other metallic chains.
Bibliographical noteCopyright 2008 American Physical Society
Strange, M., Thygesen, K. S., Sethna, J. P., & Jacobsen, K. W. (2008). Anomalous conductance oscillations and half-metallicity in atomic Ag-O chains. Physical Review Letters, 101(9), 096804. https://doi.org/10.1103/PhysRevLett.101.096804