Nuclear quadrupole coupling of O-17 and S-33 in ionic solids: Invalidation of the Sternheimer model by short-range corrections
Electronic structure calculations of electric field gradients (EFG) at the nuclei of the anions F-, O2-, and S2- for distorted octahedral environments representing the condensed phases of LiF, MgO, and MgS show dominant short-range corrections to the Sternheimer model. In this model, the EFG at the...
Egile Nagusiak: | Calandra, P, Domene, C, Fowler, P, Madden, P |
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Formatua: | Journal article |
Hizkuntza: | English |
Argitaratua: |
2002
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