Journal
CHEMPHYSCHEM
Volume 17, Issue 23, Pages 3985-3991Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.201600751
Keywords
ab initio calculations; doping; electron transfer; monolayers; p-n junctions
Funding
- TUBITAK [113T050, 114F397]
- Flemish Science Foundation (FWO-Vl)
- Bilim Akademisi-The Science Academy, Turkey
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By using density functional theory and non-equilibrium Green's function-based methods, we investigated the electronic and transport properties of a TiS3 monolayer p-n junction. We constructed a lateral p-n junction on a TiS3 monolayer using Li and F adatoms. An applied bias voltage caused significant variability in the electronic and transport properties of the TiS3 p-n junction. In addition, the spin-dependent current-volt-age characteristics of the constructed TiS3 p-n junction were analyzed. Important device characteristics were found, such as negative differential resistance and rectifying diode behaviors for spin-polarized currents in the TiS3 p-n junction. These prominent conduction properties of the TiS3 p-n junction offer remarkable opportunities for the design of nanoelectronic devices based on a recently synthesized single-layered material.
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