Abstract
We present a detailed first-principles investigation of the response of a free-standing graphene sheet to an external perpendicular static electric field E. The charge density distribution in the vicinity of the graphene monolayer that is caused by E was determined using the pseudopotential density-functional theory approach. Different geometries were considered. The centroid of this extra density induced by an external electric field was determined as zim = 1.048 Å at vanishing E, and its dependence on E has been obtained. The thus determined zim was employed to construct the hybrid one-electron potential which generates a new set of energies for the image-potential states.
| Original language | English |
|---|---|
| Article number | 1561 |
| Journal | Nanomaterials |
| Volume | 11 |
| Issue number | 6 |
| DOIs | |
| State | Published - 13 Jun 2021 |
Bibliographical note
Publisher Copyright:© 2020 by the authors. Licensee MDPI, Basel, Switzerland.
Funding
Funding: V.M.S. acknowledges support from the Project of the Basque Government for consolidated groups of the Basque University, through the Department of Universities (Q-NANOFOT IT1164-19) and from the Spanish Ministry of Science and Innovation (Grant No. PID2019–105488GB–I00). G.G. would like to acknowledge the support from the Air Force Research Laboratory (AFRL) through Grant No. FA9453-21-1-0046.
| Funders | Funder number |
|---|---|
| Department of Universities | Q-NANOFOT IT1164-19 |
| Air Force Research Laboratory | FA9453-21-1-0046 |
| Eusko Jaurlaritza | |
| Ministerio de Ciencia e Innovación | PID2019–105488GB–I00 |
| Baise University |
Keywords
- Electric field
- Graphene
- Image potential
- Image-plane position
- Image-potential states
- Valence charge density