کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1862145 1530601 2013 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
First-principles prediction of an intrinsic half-metallic graphitic hydrogenated carbon nitride
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک و نجوم (عمومی)
پیش نمایش صفحه اول مقاله
First-principles prediction of an intrinsic half-metallic graphitic hydrogenated carbon nitride
چکیده انگلیسی

The electronic properties of an experimentally realized graphitic carbon nitride (g-C3N3) layer has been studied via first-principles calculations. Unlike the recently reported ferromagnetic g-C4N3 structure, the g-C3N3 system is nonmagnetic. Based on the two-dimensional g-C3N3 structure, we predicts a new graphitic hydrogenated carbon nitride (g-H3C3N3) for the first time, which shows 100% half-metallic property around Fermi energy. It would be a kind of important material in spintronics if it could be synthesized experimentally in the future.


► A new graphitic hydrogenated carbon nitride (g-H3C3N3) is predicted for the first time.
► g-H3C3N3 shows intrinsic half-metallic character.
► g-H3C3N3 would be a kind of important material in spintronics.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physics Letters A - Volume 377, Issues 3–4, 3 January 2013, Pages 347–350
نویسندگان
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