You are here
First-principles-based Method For Electron Localization
| Title: | First-principles-based Method For Electron Localization: Application To Monolayer Hexagonal Boron Nitride. |
 6 views 1 downloads |
|---|---|---|
| Name(s): |
Ekuma, C. E., author Dobrosavljevic, V., author Gunlycke, D., author |
|
| Type of Resource: | text | |
| Genre: |
Journal Article Text Journal Article |
|
| Date Issued: | 2017-03-10 | |
| Physical Form: |
computer online resource |
|
| Extent: | 1 online resource | |
| Language(s): | English | |
| Abstract/Description: | We present a first-principles-based many-body typical medium dynamical cluster approximation and density function theory method for characterizing electron localization in disordered structures. This method applied to monolayer hexagonal boron nitride shows that the presence of boron vacancies could turn this wide-gap insulator into a correlated metal. Depending on the strength of the electron interactions, these calculations suggest that conduction could be obtained at a boron vacancy concentration as low as 1.0%. We also explore the distribution of the local density of states, a fingerprint of spatial variations, which allows localized and delocalized states to be distinguished. The presented method enables the study of disorder-driven insulator-metal transitions not only in h-BN but also in other physical materials. | |
| Identifier: | FSU_libsubv1_wos_000396047700006 (IID), 10.1103/PhysRevLett.118.106404 (DOI) | |
| Keywords: | graphene, nanoribbons, states, alloys, bands, defects, metal-insulator-transition, nanosheets, nanotubes, wannier functions | |
| Publication Note: | The publisher's version of record is available at https://doi.org/10.1103/PhysRevLett.118.106404 | |
| Persistent Link to This Record: | http://purl.flvc.org/fsu/fd/FSU_libsubv1_wos_000396047700006 | |
| Owner Institution: | FSU | |
| Is Part Of: |
Physical Review Letters. 0031-9007 |
|
| Issue: | iss. 10, vol. 118 |
Ekuma, C. E., Dobrosavljevic, V., & Gunlycke, D. (2017). First-principles-based Method For Electron Localization: Application To Monolayer Hexagonal Boron Nitride. Physical Review Letters. Retrieved from http://purl.flvc.org/fsu/fd/FSU_libsubv1_wos_000396047700006
