Charge transfer,current,and voltage induced by heterjunction connected to electrodes formed by different materials
| Autor: | Lin, Jun-Hao, 林君豪 |
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| Rok vydání: | 2016 |
| Druh dokumentu: | 學位論文 ; thesis |
| Popis: | 105 Within the framework of density-functional theory (DFT), the electronic structure of bimetal junctions is calculated by a first-principles method. The positive charges of metals are modeled as a uniform positive background (Jellium model). The method solves the coupled Poisson and Schrödinger equations iteratively with the constraints of the charge neutrality. The exchange-correlation functional of the effective single-particle system is approximated by the local density approximation (LDA). The self-consistent electron structures are obtained for identical and dissimilar contacts with r_s=2~6. Junctions with different separations and external biases are compared. And we considered the effect when we added insulator materials between two electrodes.There exist substantial Friedeloscillations in densities and potential energies. Charge transfer between two electrodes occurs when an external bias is applied. An intrinsic voltage differenceis generated by the contact of dissimilar metals. |
| Databáze: | Networked Digital Library of Theses & Dissertations |
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