DFT analysis of wide band gap TlBaCl3 and CsBaCl3 chloroperovskites for UV applications
Abstract In this work, we investigate the structural, electronic, optical, and elastic properties of RBaCl3 (R = Tl and Cs) chloroperovskites using Density Functional Theory (DFT). The Tran-Blaha modified Becke-Johnson (TB-mBJ) potential within the WIEN2k code is employed to enhance the accuracy of...
Sábháilte in:
| Príomhchruthaitheoirí: | , , , , , , , , , , , , |
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| Formáid: | Artigo |
| Teanga: | Inglês |
| Foilsithe / Cruthaithe: |
Nature Portfolio
2025-09-01
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| Sraith: | Scientific Reports |
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| Rochtain ar líne: | https://doi.org/10.1038/s41598-025-18037-3 |
| Clibeanna: |
Níl clibeanna ann, Bí ar an gcéad duine le clib a chur leis an taifead seo!
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