Probing the zero energy shell wave functions of triangular graphene quantum dots with broken sublattice symmetry using a localized impurity

被引:0
|
作者
Rodrigues, Alina Wania [1 ]
Miravet, Daniel [1 ]
Lawrence, James [2 ]
Hawrylak, Pawel [1 ]
机构
[1] Univ Ottawa, Dept Phys, Ottawa, ON K1N 6N5, Canada
[2] Natl Univ Singapore, Dept Chem, Singapore 117543, Singapore
基金
加拿大自然科学与工程研究理事会;
关键词
Triangular graphene quantum dots; Aza-triangulene; DFT; Tight-binding; SURFACE;
D O I
10.1016/j.ssc.2025.115899
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
We present here a method of probing the wave functions of a degenerate shell in a triangular graphene quantum dot, [n]triangulene, using a localized substitutional impurity. We demonstrate its applicability to the example of aza-[n]triangulenes. Using the analytical solution for degenerate states of an all-carbon [n]triangulene as a basis for a [n]triangulene containing a nitrogen impurity, we predict the structure of the zero energy shell in the presence of this impurity. We show that the impurity allows probing of the wave functions of a degenerate shell on a carbon site where it is located. We confirm our predictions by a comparison with the tight-binding and ab-initio calculation as well as with experiment.
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页数:5
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