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...
| Egile Nagusiak: | , , |
|---|---|
| Formatua: | Artikulua |
| Hizkuntza: | English |
| Argitaratua: |
American Physical Society
2023-02-01
|
| Saila: | Physical Review Research |
| Sarrera elektronikoa: | http://doi.org/10.1103/PhysRevResearch.5.013111 |