Based on first-principle calculations, the stability, electronic structure, optical absorption, and modulated electronic properties by different interlayer distances or by external electric fields of bilayer α-GeTe are systemically investigated. Results show that van der Waals (vdW) bilayer α-GeTe has an indirect band structure with the gap value of 0.610 eV, and α-GeTe has attractively efficient light harvesting. Interestingly, along with the decrease of interlayer distances, the band gap of bilayer α-GeTe decreases linearly, due to the enhancement of interlayer vdW interaction. In addition, band gap transition is originated from the electric field-induced near free-electron gas (NFEG) under the application of positive electrical fields. However, when the negative electric fields are applied, there is no NFEG. On account of these characteristics of bilayer α-GeTe, a possible data storage device has been designed. These results indicate that bilayer α-GeTe has a potential to work in new electronic and optoelectronic devices.
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| http://dx.doi.org/10.1186/s11671-018-2813-x | DOI Listing |
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