Copper/diamond adhesion and hydrogen termination - art. no. 186103

The clean Cu/diamond(111) work of separation is found to be 1.30 J/m(2). Co pper d and diamond p states play a significant role in forming relatively s trong Cu/diamond interfacial bonds, while reconstruction of the free diamon d(111) surface lowers the work of separation. The single dangling bond diam ond termination is the stable interfacial configuration. Hydrogen terminati on of the diamond lowers the work of separation to 0.21 J/m(2), consistent with experimental measurements of hydrogen effects on Cu/diamond adhesive s trengths. Hydrogen is stable in the Cu/dianiond interface.