Structures and Energetics of SrFeO2.875 Calculated within the GGA + U Framework-Reference-Cited by-同舟云学术

Structures and Energetics of SrFeO2.875 Calculated within the GGA + U Framework

Published:2009-09-28 Issue:10 Volume:5 Page:2787-2797
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Huang Wen Lai¹,Zhu Qingshan¹

Affiliation:

1. State Key Laboratory of Multi-Phase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, People’s Republic of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct900405j

Reference31 articles.

1. Infinite-layer iron oxide with a square-planar coordination

2. Unusual defects and the electronic structure of the nonstoichiometric perovskite SrFeO3-δ: a numerical approach

3. Covalency Criterion for Localized vs Collective Electrons in Oxides with the Perovskite Structure

4. The influence of oxygen vacancies on the electronic and magnetic properties of perovskite-like SrFeO3-x

5. Oxidation energies of transition metal oxides within theGGA+Uframework

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