Vacancy-induced modifications to the electronic structure of barium lanthanum cobaltite: density functional theory calculations
Francis Oseko, Aleksandra Mielewczyk-Gryń, Szymon Winczewski · 2026
Read Vacancy-induced modifications to the electronic structure of barium lanthanum cobaltite: density functional theory calculations by Francis Oseko, Aleksandra Mielewczyk-Gryń, Szymon Winczewski (2026) in the Tower of Babel, a free online library of public-domain works preserved in clean, searchable text. No sign-up. The full text is served as a plain-text file at a predictable URL, where text is present: https://antarctic-labs.com/tower-of-babel/pmc-13573168.txt.
Description
Francis Oseko, Aleksandra Mielewczyk-Gryń, and Szymon Winczewski model, in a 2026 materials paper, how missing atoms change a cobalt-based crystal studied for energy devices. The team used density-based calculations, with a correction for strong electron effects, and built custom tools for the atoms using a new search algorithm. They first checked their method on the perfect crystal.
Three defect types were tested: a missing oxygen, a paired oxygen gap, and a combined oxygen-cobalt gap, each in charged and neutral forms. All defects changed the crystal's structure, electron layout, and magnetism in clear ways. Charge piled up in some spots and spread out in others, a mix the authors trace to rival effects in the material.
Catalog record
| CREATOR | Francis Oseko, Aleksandra Mielewczyk-Gryń, Szymon Winczewski |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 70 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |