کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5496373 1399845 2017 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Difficulty of long-standing n-type conductivity in equilibrium and non-equilibrium γ-CuCl: A first-principles study
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک و نجوم (عمومی)
پیش نمایش صفحه اول مقاله
Difficulty of long-standing n-type conductivity in equilibrium and non-equilibrium γ-CuCl: A first-principles study
چکیده انگلیسی
Doping asymmetry is a pervasive issue in wide band gap semiconductors. We demonstrated that γ-CuCl is one of them with an intrinsic p-type semiconductor by first-principles calculations. The valence band maximum of γ-CuCl is dominated by the antibonding state of Cu-3d and Cl-3p, resulting in a high energy position. We further find that Cu vacancy has a relatively low diffusion barrier in addition to its low formation energy, implying that the long-standing n-type conductivity is hard to realize in γ-CuCl even with non-equilibrium approaches.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physics Letters A - Volume 381, Issue 33, 5 September 2017, Pages 2743-2747
نویسندگان
, , , , , , ,