Heterointerfaces: atomic structures, electronic states, and related properties
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Recent breakthroughs in transmission electron microscopy enable a direct quantitative determination of the technologically significant heterointerfaces, yet a direct interpretation is not always possible. Here, we review the general processes to introduce the high-precision first-principles calculations into the microscopy in order to obtain an atomistic understanding of effects of buried interfaces on a wide range of properties. We demonstrate the possibility and important advance of this combined method in relating interface structures to device physics even for the complex heterointerfaces, SiC/Ti<sub>3</sub>SiC<sub>2</sub>, La<i><sub>x</sub></i>Sr<sub>1−</sub><i><sub>x</sub></i>O/(SrTiO<sub>3</sub>)<i><sub>n</sub></i>, and Pd/ZnO presented here. We therefore believe that this approach should be widely applicable to many other interfaces and a range of materials, providing new insights into many long-standing unresolved issues regarding interfaces.
- Journal of the Ceramic Society of Japan
Journal of the Ceramic Society of Japan 119(1395), 783-793, 2011
The Ceramic Society of Japan