Electron and positron response to atomic defects in solids: A theoretical study of the monovacancy and divacancy in aluminum
作者： Bulbul Chakraborty , R. W. Siegel
关键词: Electronic structure 、 Pseudopotential 、 Spectroscopy 、 Annihilation 、 Atomic physics 、 Electron 、 Crystallographic defect 、 Antiparticle 、 Positron 、 Physics
摘要: A formalism for self-consistently calculating the response of electrons and positrons to atomic defects in solids is presented. The can be used with either Green's-function or supercell method defect characteristics, general applicability. With use this self-consistent pseudopotential scheme within a supercell, electronic structure positron states annihilation characteristics associated monovacancy divacancy aluminum have been studied. sensitivity calculated formation energy type ionic also examined. Finally, possibilities using positron-annihilation spectroscopy study vacancylike are considered.
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