Bilayer graphene quantum dots with rotational stacking faults(RSFs) having different rotational angles were studied.Using the first-principles calculation, we determined that these stacking faults could quantitatively...Bilayer graphene quantum dots with rotational stacking faults(RSFs) having different rotational angles were studied.Using the first-principles calculation, we determined that these stacking faults could quantitatively modulate the magnetism and the distribution of spin and energy levels in the electronic structures of the dots.In addition, by examining the spatial distribution of unpaired spins and Bader charge analysis, we found that the main source of magnetic moment originated from the edge atoms of the quantum dots.Our research results can potentially provide a new path for producing all-carbon nanodevices with different electrical and magnetic properties.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11374174,51390471,51527803,and 51701143)the National Basic Research Program of China(Grant No.2015CB654902)+4 种基金the National Key Research and Development Program of China(Grant No.2016YFB0700402)the Foundation for the Author of National Excellent Doctoral Dissertation,China(Grant No.201141)the Tianjin Municipal Education Commission,Chinathe Tianjin Municipal Science and Technology Commission,Chinathe Fundamental Research Fund of Tianjin University of Technology
文摘Bilayer graphene quantum dots with rotational stacking faults(RSFs) having different rotational angles were studied.Using the first-principles calculation, we determined that these stacking faults could quantitatively modulate the magnetism and the distribution of spin and energy levels in the electronic structures of the dots.In addition, by examining the spatial distribution of unpaired spins and Bader charge analysis, we found that the main source of magnetic moment originated from the edge atoms of the quantum dots.Our research results can potentially provide a new path for producing all-carbon nanodevices with different electrical and magnetic properties.