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Local-density approximation study ofp-Si/n-Si nanoscale junctions

✍ Scribed by V.G. Zavodinsky; I.A. Kuyanov


Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
245 KB
Volume
20
Category
Article
ISSN
0749-6036

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✦ Synopsis


We have performed a first-principles local-density cluster investigation of nanoscale p-Si/n-Si junctions. Al and P atoms were used as dopants and Al-P distances were of order a few A ˚ngstroms. The thermoemission current-voltage characteristics were calculated in addition to the electronic structure. It was shown that a rectifying nanoscale p-n junction can be formed in silicon if the distance between donor and acceptor atoms is not too small (about 1 nm).


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The spectroscopic constants and charge distribution for the ground states of 36 diatomic molecules containing C to F and Si to C1 atoms have been studied with the deMon density functional program, using the local density approximation and large basis sets. For each species, we computed the energy an