Accurate structure factors from pseudopotential methods
نویسندگان
چکیده
منابع مشابه
The structure and properties of vacancies in Si nano - crystals calculated by real space pseudopotential methods
The structure and properties of vacancies in a 2 nm Si nano-crystal are studied using a real space density functional theory/pseudopotential method. It is observed that a vacancy’s electronic properties and energy of formation are directly related to the local symmetry of the vacancy site. The formation energy for vacancies and Frenkel pair are calculated. It is found that both defects have low...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 1999
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.60.7875