Work function (WF) is a crucial factor in improving the high-k/metal gate stack. Here we present a systematic study of the strain-dependent work function on the Pt metal gate (100) surface using the first-principles calculation. We find that the compressive strain increases WF, while the tensile strain decreases its value, with the biaxial strain leading to the maximum change of WF. We identify the mechanism of WF modification by analyzing the effect of strain on the bulk electronic structure and surface dipole. Finally, we propose a canonical strain-WF relationship, which provides a design principle for the work function tuning with strain.

http://scitation.aip.org/content/aip/journal/apl/102/22/10.1063/1.4807939

Appl. Phys. Lett. 102, 223504 (2013); http://dx.doi.org/10.1063/1.4807939

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