کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5467217 | 1518614 | 2017 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Rare earth substitutional impurities in germanium: A hybrid density functional theory study
ترجمه فارسی عنوان
ناخالصی های اساسی ناقل زمین در ژرمانیوم: نظریه کاربردی تراکم هیبرید مطالعه
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کلمات کلیدی
عیوب، انرژی تشکیل شده، دولت شارژ، زمین نادر،
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
سطوح، پوششها و فیلمها
چکیده انگلیسی
The Heyd, Scuseria, and Ernzerhof (HSE06) hybrid functional by means of density functional theory has been used to model the electronic and structural properties of rare earth (RE) substitutional impurities in germanium (REGe). The formation and charge state transition energies for the REGe (RE = Ce, Pr, Er and Eu) were calculated. The energy of formation for the neutral charge state of the REGe lies between â0.14 and 3.13Â eV. The formation energy result shows that the Pr dopant in Ge (PrGe) has the lowest formation energy of â0.14Â eV, and is most energetically favourable under equilibrium conditions. The REGe induced charge state transition levels within the band gap of Ge. Shallow acceptor levels were induced by both the Eu (EuGe) and Pr (PrGe) dopants in Ge. The CeGe and ErGe exhibited properties of negative-U ordering with effective-U values of â0.85 and â1.07Â eV, respectively.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms - Volume 409, 15 October 2017, Pages 31-35
Journal: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms - Volume 409, 15 October 2017, Pages 31-35
نویسندگان
E. Igumbor, E. Omotoso, S.M. Tunhuma, H.T. Danga, W.E. Meyer,