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We prove that the electronic density of states (DOS) for 2D incommensurate layered structures, where Bloch theory does not apply, is well-defined as the thermodynamic limit of finite clusters. In addition, we obtain an explicit representation formula for the DOS as an integral over local configurations. Next, based on this representation formula, we propose a novel algorithm for computing electronic structure properties in incommensurate heterostructures, which overcomes limitations of the common approach to artificially strain a large supercell and then apply Bloch theory.
20 pages, 9 figures
91, TK, FOS: Mathematics, FOS: Physical sciences, Mathematics - Numerical Analysis, Mathematical Physics (math-ph), Numerical Analysis (math.NA), Mathematical Physics
91, TK, FOS: Mathematics, FOS: Physical sciences, Mathematics - Numerical Analysis, Mathematical Physics (math-ph), Numerical Analysis (math.NA), Mathematical Physics
citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 26 | |
popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Top 10% | |
influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Top 10% | |
impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Top 10% |