@misc{albina_ab_initio_2012, author={Albina, J.-M., Elsaesser, C., Weissmueller, J., Gumbsch, P., Umeno, Y.}, title={Ab initio investigation of surface stress response to charging of transition and noble metals}, year={2012}, howpublished = {journal article}, doi = {https://doi.org/10.1103/PhysRevB.85.125118}, abstract = {First-principles electronic-structure calculations based on density functional theory with the local density approximation were carried out to investigate the effect of tangential strain on the work function for a set of noble and transition metals. For elements of the same series, the stress-charge coefficients are observed to vary with the d-band occupation. While transition metals elements of the left part of the 4d series (Y to Rh) follow a parabolic behavior, which is dependent on the d-band occupancy, elements of the right part (Pd and Ag) show an s-band occupation dependency. An interpretation of the variation of the stress-charge coefficients in terms of a bonding-antibonding orbital occupation is given.}, note = {Online available at: \url{https://doi.org/10.1103/PhysRevB.85.125118} (DOI). Albina, J.; Elsaesser, C.; Weissmueller, J.; Gumbsch, P.; Umeno, Y.: Ab initio investigation of surface stress response to charging of transition and noble metals. Physical Review B. 2012. vol. 85, no. 12, 125118. DOI: 10.1103/PhysRevB.85.125118}}