期刊
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
卷 111, 期 -, 页码 141-147出版社
ELSEVIER
DOI: 10.1016/j.physe.2019.02.020
关键词
Multifractality; Anderson localization; Semiconductors
资金
- Engineering and Physical Sciences Research Council via the ARCHER RAP project [e420]
- MidPlus Regional HPC Centre [EP/K000128/1]
In Refs. [1,2] we have shown how a combination of modern linear-scaling DFT, together with a subsequent use of large, effective tight-binding Hamiltonians, allows to compute multifractal wave functions yielding the critical properties of the Anderson metal-insulator transition (MIT) in doped semiconductors. This combination allowed us to construct large and atomistically realistic samples of sulfur-doped silicon (Si:S). The critical properties of such systems and the existence of the MIT are well known, but experimentally determined values of the critical exponent u close to the transition have remained different from those obtained by the standard tight-binding Anderson model. In Ref. [1], we found that this exponent puzzle can be resolved when using our novel ab initio approach based on scaling of multifractal exponents in the realistic impurity band for Si:S. Here, after a short review of multifractality, we give details of the multifractal analysis as used in [1] and show the obtained critical multifractal spectrum at the MIT for Si:S.
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