First-principles method justifying the Dieke diagram and beyond
We present a method to determine the model Hamiltonians to treat rare-earth multiplets in solids from the results of the quasiparticle self-consistent GW (QSGW) method. We apply the method to trivalent Eu compounds EuCl_{3}, EuN, and Eu-doped GaN after examining free rare-earth ions. We solve the mo...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2023-02-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.5.013111 |