Abstract
Electronic structure and transport characteristics of coupled CdS and ZnSe quantum dots are studied using density functional theory and non equilibrium Greens function method respectively. Our investigations show that in these novel coupled dots, the Frontier occupied and unoccupied molecular orbitals are spatially located in two different parts, thereby indicating the possibility of asymmetry in electronic transport.We have calculated electronic transport through the coupled quantum dot by varying the coupling strength between the individual quantum dots in the limits of weak and strong coupling. Calculations reveal asymmetric current vs voltage curves in both the limits indicating the rectifying properties of the coupled quantum dots. Additionally we discuss the possibility to tune the switching behavior of the coupled dots by different gate geometries.
| Original language | English |
|---|---|
| Article number | 125002 |
| Journal | Journal of Physics Condensed Matter |
| Volume | 33 |
| Issue number | 12 |
| DOIs | |
| State | Published - 12 Jan 2021 |
Bibliographical note
Publisher Copyright:© 2021 IOP Publishing Ltd.
Funding
Authors would like to thank the DAAD (Germany) and DST (India) for making this work possible (PPP-India: ‘Electronic Structure and Transport in functional Nano Materials’). SL is financially supported by the European Union (European Social Fund) and by the Saxonian Government (Grant No. 101231954). SL, TH and JK want to thank the ZIH Dresden for providing computational resources to perform this research. ID and BD thanks TRC (DST) for computational support.
| Funders | Funder number |
|---|---|
| Saxonian Government | 101231954 |
| European Commission | |
| European Social Fund |
Keywords
- Density functional theory
- Electronic structure of nanoscale materials
- Modeling and simulation
- Nanocluster
- Nonequilibrium Greens functions
- Quantum dot