Publication Date:
2015-03-17
Description:
We show that our real-space finite-difference scheme allows us to perform density-functional calculations for nanometer-scale targets containing more than 100 000 atoms. This real-space scheme is applied to twisted bilayer graphene, clarifying that Moiré pattern induced in the slightly twisted bilayer graphene drastically modifies the atomic and electronic structures.
Print ISSN:
0021-8979
Electronic ISSN:
1089-7550
Topics:
Physics
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