کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1814228 | 1025646 | 2008 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Study on the electronic transport properties of the C14 monocyclic ring: The first-principles calculations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The transport properties of C14 monocyclic ring sandwiched between two Al(1Â 0Â 0) electrodes are investigated by first-principle calculations. The variation of the equilibrium conductance as the function of the separation distance between the molecule and the electrodes is studied. C14 monocyclic ring shows metallic behavior according to the calculated equilibrium conductance. Electron transmission occurs through the lowest unoccupied molecular orbital (LUMO). With gate-voltage applied, it is found that the positive and negative gate-voltages can bring very different effect on the variation of equilibrium conductance. We also calculate the effects of adsorbing other atoms on the carbon ring such as oxygen and sulfur atoms. The results indicate that adsorption of this kind of electron-accepting impurity will decrease the conductance of the system.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 403, Issue 18, 1 September 2008, Pages 3185-3190
Journal: Physica B: Condensed Matter - Volume 403, Issue 18, 1 September 2008, Pages 3185-3190
نویسندگان
Xiao Chun Chen, Ying Xu, Z.X. Dai,