Spin–spin interactions in defects in solids from mixed all-electron and pseudopotential first-principles calculations
Abstract Understanding the quantum dynamics of spin defects and their coherence properties requires an accurate modeling of spin-spin interaction in solids and molecules, for example by using spin Hamiltonians with parameters obtained from first principles calculations. We present a real-space appro...
| Hlavní autoři: | , , , , |
|---|---|
| Médium: | Článek |
| Jazyk: | English |
| Vydáno: |
Nature Portfolio
2021-07-01
|
| Edice: | npj Computational Materials |
| On-line přístup: | https://doi.org/10.1038/s41524-021-00590-w |