Effect of reduced dimensionality on the optical band gap of SrTiO3

Lee, Che-Hui; Podraza, Nikolas J.; Zhu, Ye; Berger, Robert F.; Shen, Shaoping; Sestak, Michelle; Collins, Robert W.; Kourkoutis, Lena F.; Mundy, Julia A.; Wang, Huiqiong; Mao, Qingyun; Xi, Xiaoxing; Brillson, Leonard J.; Neaton, Jeffrey B.; Muller, David A.; Schlom, Darrell G.
March 2013
Applied Physics Letters;3/25/2013, Vol. 102 Issue 12, p122901
Academic Journal
The effect of dimensional confinement on the optical band gap of SrTiO3 is investigated by periodically introducing one extra SrO monolayer every n SrTiO3 layers. The result is the n = 1-5 and 10 members of the Srn+1TinO3n+1 Ruddlesden-Popper homologous series. Spectroscopic ellipsometry, optical transmission, and cathodoluminescence measurements reveal these Srn+1TinO3n+1 phases to have indirect optical band gaps at room temperature with values that decrease monotonically with increasing n. First-principles calculations suggest that as n increases and the TiO6 octahedra become connected for increasing distances along the c-axis, the band edge electronic states become less confined. This is responsible for the decrease in band gaps with increasing n (for finite n) among Srn+1TinO3n+1 phases.


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