کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1590942 1515477 2006 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Electronic structure of B-doped diamond: A first-principles study
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
Electronic structure of B-doped diamond: A first-principles study
چکیده انگلیسی
Electronic structure of B-doped diamond is studied based on first-principles calculations with supercell models for substitutional and interstitial doping at 1.5-3.1 at.% B concentrations. Substitutional doping induces holes around the valence-band maximum in a rigid-band fashion. The nearest neighbor C site to B shows a large energy shift of 1s core state, which may explain reasonably experimental features in recent photoemission and X-ray absorption spectra. Doping at interstitial Td site is found to be unstable compared with that at the substitutional site.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Science and Technology of Advanced Materials - Volume 7, Supplement 1, August 2006, Pages S67-S70
نویسندگان
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