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Title: Implications of Hund`s second rule for the insulating behavior of FeO and CoO

Abstract

A formal expression for Hund`s second rule correlations is applied to energy band calculations for FeO, CoO, and NiO. In all 3 cases, insulating gaps are found, in contrast to standard band calculations, where an insulating gap is only found for NiO. The calculated orbital moments, though, are too large, due to the correction being based on the atomic limit. 2 tabs, 12 refs.

Authors:
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE, Washington, DC (United States)
OSTI Identifier:
10132900
Report Number(s):
ANL/MSD/PP-71896
ON: DE94008126
DOE Contract Number:  
W-31109-ENG-38
Resource Type:
Technical Report
Resource Relation:
Other Information: PBD: Nov 1990
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; IRON OXIDES; ELECTRONIC STRUCTURE; COBALT OXIDES; NICKEL OXIDES; BAND THEORY; 360204; PHYSICAL PROPERTIES

Citation Formats

Norman, M R. Implications of Hund`s second rule for the insulating behavior of FeO and CoO. United States: N. p., 1990. Web. doi:10.2172/10132900.
Norman, M R. Implications of Hund`s second rule for the insulating behavior of FeO and CoO. United States. https://doi.org/10.2172/10132900
Norman, M R. 1990. "Implications of Hund`s second rule for the insulating behavior of FeO and CoO". United States. https://doi.org/10.2172/10132900. https://www.osti.gov/servlets/purl/10132900.
@article{osti_10132900,
title = {Implications of Hund`s second rule for the insulating behavior of FeO and CoO},
author = {Norman, M R},
abstractNote = {A formal expression for Hund`s second rule correlations is applied to energy band calculations for FeO, CoO, and NiO. In all 3 cases, insulating gaps are found, in contrast to standard band calculations, where an insulating gap is only found for NiO. The calculated orbital moments, though, are too large, due to the correction being based on the atomic limit. 2 tabs, 12 refs.},
doi = {10.2172/10132900},
url = {https://www.osti.gov/biblio/10132900}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Nov 01 00:00:00 EST 1990},
month = {Thu Nov 01 00:00:00 EST 1990}
}