کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1859792 1037375 2010 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Ab-initio investigations of the electronic properties of bulk wurtzite Beryllia and its derived nanofilms
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک و نجوم (عمومی)
پیش نمایش صفحه اول مقاله
Ab-initio investigations of the electronic properties of bulk wurtzite Beryllia and its derived nanofilms
چکیده انگلیسی

In this Letter we investigate the electronic properties of the bulk and the nanofilm BeO in wurtzite structure. We performed a first-principles pseudo-potential method within the generalized gradient approximation. We will give more importance to the changes in band structure and density of states between the bulk structure and its derived nanofilms. The bonding characterization will be investigated via the analysis Mulliken population and charge density contours. It is found that the nanofilm retains the same properties as its bulk structure with slight changes in electronic properties and band structure which may offer some unusual transport properties.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physics Letters A - Volume 374, Issue 38, 23 August 2010, Pages 3977–3981
نویسندگان
, ,