The band structure and optical absorption of hematite (α-Fe2O3): a first-principles GW-BSE study
Author:
Affiliation:
1. CNR-IOM DEMOCRITOS
2. Istituto Officina dei Materiali
3. Consiglio Nazionale delle Ricerche
4. 34136 Trieste
5. Italy
Abstract
Using Bethe–Salpeter calculations we show that the onset of optical absorption in hematite is due to ligand-to-metal charge transfer excitations.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP07132B
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