Caricamento...
Database of Wannier tight-binding Hamiltonians using high-throughput density functional theory
Wannier tight-binding Hamiltonians (WTBH) provide a computationally efficient way to predict electronic properties of materials. In this work, we develop a computational workflow for high-throughput Wannierization of density functional theory (DFT) based electronic band structure calculations. We ap...
Salvato in:
| Pubblicato in: | Sci Data |
|---|---|
| Autori principali: | , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Nature Publishing Group UK
2021
|
| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8044170/ https://ncbi.nlm.nih.gov/pubmed/33850146 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41597-021-00885-z |
| Tags: |
Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne! !
|