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Spin-density-functional calculations of tip-suspended gold chains, withmolecular oxygen, or dissociated oxygen atoms, incorporated in them, revealstructural transitions for varying lengths. The nanowires exhibit enhancedstrength for both oxygen incorporation modes, and upon stretching tip atomsjoin the wire. With incorporated molecular oxygen the wire conductance is about1(2e2/h), transforming to an insulating state beyond a critical length. Thenanowire conductance with embedded oxygen atoms is low, 0.2 (2e2/h), and itdevelops magnetic moments localized on the oxygens and the neighboring Auatoms.

Bonding, Conductance and Magnetization of Oxygenated Au Nanowires