Experimental and Theoretical Investigation of Si(001)/Si (110) Junctions

We have observed large current asymmetries in Si(001)/Si(110) junctions where both sides are identical in all respects, except orientation. With a 280 atom GGA supercell calculation using the VASP ultrasoft pseudopotential code, we have obtained an adhesion energy of 110 meV/{\AA}$^{2}$. The covalent and dangling bonds at the interface are displayed. The Si(110) potential averaged over a (110) interior unit cell was found to be 85 meV more negative (positive for holes) than the Si(001). This offset was used in a device simulator to simulate the behavior of the junction. Qualitative agreement with the experimental I-V characteristics was obtained. We will discuss possible errors introduced in the offset by the GGA energy gap error.