The full-text may be used and/or reproduced, and given to third parties in any format or medium, without prior permission or charge, for personal research or study, educational, or not-for-pro t purposes provided that:âą a full bibliographic reference is made to the original source âą a link is made to the metadata record in DRO âą the full-text is not changed in any way The full-text must not be sold in any format or medium without the formal permission of the copyright holders.Please consult the full DRO policy for further details. Photoemission spectroscopy demonstrates the formation of a surface gold nitride upon irradiation of a AuÍ110Í surface with 500 eV nitrogen ions at room temperature. After irradiation two N1s peaks are observed at binding energies of 396.7± 0.2 eV and 397.7± 0.2 eV along with a broadening of the Au4d 5/2 line. Changes in valence-band spectra are also observed, including an additional density of states at 1.6 eV binding energy and new states at Ïł3.1 eV. Annealing experiments indicate that the two N1s lines are associated with nitrogen compounds of differing thermal stability, possibly due to the formation of more than one nitride phase. To further investigate the properties of gold nitride we have undertaken ab initio pseudopotential calculations on the most likely nitride stoichiometry, Au 3 N, and identified a novel triclinic crystal structure of a significantly lower energy than the anti-ReO 3 expected from a simple consideration of the periodic table, although the latter structure is also found to be stable. The triclinic structure is determined to be metallic, of importance to possible applications.