Nuclear quadrupole coupling of O-17 and S-33 in ionic solids: Invalidation of the Sternheimer model by short-range corrections

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...

书目详细资料
Main Authors:	Calandra, P, Domene, C, Fowler, P, Madden, P
格式:	Journal article
语言:	English
出版:	2002

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