First-principles investigation of boron defects in nickel ferrite spinel
نویسندگان
چکیده
منابع مشابه
A First Principles Study of Nickel Defects in Synthetic Diamond
Spin-polarised local density functional cluster calculations are carried out on iso-(S=1/2) lies at the T d site. Ni ? s (S=3/2) is shown to be stable and remains on-site in agreement with experimental results. Donor-acceptor complexes of Ni, namely Ni + i-B ? s , Ni ? s-N + s and Ni + s-B ? s are stable trigonal defects which have a number of gap levels. Optical transitions are expected betwee...
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ژورنال
عنوان ژورنال: Journal of Nuclear Materials
سال: 2014
ISSN: 0022-3115
DOI: 10.1016/j.jnucmat.2014.05.031