Recent Insights Into Electronic Performance, Magnetism and Exchange Splittings in the Cr-substituted CaO
The first-principles computations of density functional theory are employed to characterize the structural properties, electronic structures, and ferromagnetism induced by Cr impurities in Ca1-xCrxO compounds at concentrations x = 0. 25, 0.5, and 0.75. The dynamic stability is performed by the phono...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Frontiers Media S.A.
2020-07-01
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| Series: | Frontiers in Chemistry |
| Subjects: | |
| Online Access: | https://www.frontiersin.org/article/10.3389/fchem.2020.00526/full |