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The conventional understanding has always been that noble gases arechemically inert and do not affect materials properties. This belief has led totheir use as a standard reference in various experimental applications throughnoble gas implantation. However, in our research, using first-principlescalculations, we delve into the effects of noble gas defects on the propertiesof several functional oxides, thereby questioning this long-held assumption. Weprovide evidence that noble gases can indeed serve as functional defects. Theyhave the potential to decentralize the localized defect states and prompt ashift of electrons from a localized state to the main conduction band. Ourinvestigation unveils that noble gas defects can indeed significantly altermaterial properties. Thus, we underscore the importance of factoring in suchdefects when assessing material properties.

Noble gas functional defect with unusual relaxation pattern in solids