Electronic and magnetic properties of carbide MXenes—the role of electron correlations
Transition metal compounds are known to be tricky for ab initio calculations mainly because of the strongly localized nature of transition metal d electrons. Nonetheless, the bulk of current theoretical studies of MXenes (transition metal carbide or nitride) relies on the density functional theory u...
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2021-03-01
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| Series: | Materials Today Advances |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2590049820300655 |