Szczegóły publikacji
Opis bibliograficzny
Electronic structure and structural properties of Cr-doped $SrTiO_{3}$ – theoretical investigation / A. MIKUŁA, E. DROŻDŻ, A. KOLEŻYŃSKI // Journal of Alloys and Compounds ; ISSN 0925-8388. — 2018 — vol. 749, s. 931–938. — Bibliogr. s. 938, Abstr. — Publikacja dostępna online od: 2018-03-28
Autorzy (3)
Słowa kluczowe
Dane bibliometryczne
| ID BaDAP | 117869 |
|---|---|
| Data dodania do BaDAP | 2018-11-09 |
| Tekst źródłowy | URL |
| DOI | 10.1016/j.jallcom.2018.03.317 |
| Rok publikacji | 2018 |
| Typ publikacji | artykuł w czasopiśmie |
| Otwarty dostęp |  |
| Czasopismo/seria | Journal of Alloys and Compounds |
Abstract
Chromium belongs to one of the less-studied potential dopants that can improve selected structural and transport properties (including electric ones) of perovskite systems, such as strontium titanate (SrTiO3). In related literature, it is an inconsistency concerning the cationic sites occupied by chromium dopant in SrTiO3 structure, while these sites strongly influence structural parameters and electrical properties. In this work detailed results of theoretical investigation of more energetically favorable sites occupied by chromium dopant are presented. It has been confirmed that chromium rather replaces titanium than strontium in SrTiO3 structure. Next, a series of calculations of electronic structure for few model structures with different amount of Cr dopant located at energetically preferred B-cation sublattice has been performed. Electronic structure and structural properties have been described and discussed in detail.
