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Grain boundaries with [111] tilt axes are common in polycrystalline facecentered cubic metals. For copper (111) films, emergent grain boundaries closeto surface have tilt axes that are shifted away from [111] that are lower inenergy than the corresponding truncated bulk boundaries. Geometrical analysisand atomic calculations were used to study the driving force for this samerelaxation phenomenon in representative fcc elemental metals. We show that thereduction in boundary energy scales with the elimination of energeticallycostly boundary core facets. We find that for a wide range of misorientationangles low energy core-shifted boundaries are also favored in Al, Ni, Au and Ptand discuss the significance for electromigration and other metal properties.

Universal preference for low energy core-shifted grain boundaries at the surfaces of fcc metals