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Numerical study of the localization-delocalization transition for vibrations in amorphous silicon

机译:非晶硅振动的定域-离域转变的数值研究

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Numerical studies of amorphous Si in harmonic approximation show that the highest 3.5% of vibrational normal modes are localized. As the vibrational frequency increases through the boundary separating localized from delocalized modes, near ω_c = 70 meV (the 'mobility edge') there is a localization-delocalization transition, similar to a second-order thermodynamic phase transition. By a numerical study on a system with 4096 atoms, we are able to see exponential decay lengths of exact vibrational eigenstates and to test whether or not these diverge at ω_3. Results are consistent with a localization length ζ which diverges above ω_c as (ω-ω_c)~(-p) where the exponent is p ≈ 1.3 ± 0.5. Below the mobility edge we find no evidence for a diverging correlation length. Such an asymmetry would contradict scaling ideas, and we suppose it is a finite-size artefact. If the scaling regime is narrower than our (approximately 1 meV) resolution, then it cannot be seen directly on our finite system.
机译:谐波近似中非晶硅的数值研究表明,最高的3.5%的振动法向模式是局部的。当振动频率通过从局部模式与局部模式分离的边界而增加时,在ω_c= 70 meV(“运动边缘”)附近,存在局部-离域转变,类似于二阶热力学相变。通过对具有4096个原子的系统进行的数值研究,我们可以看到精确的振动本征态的指数衰减长度,并测试它们在ω_3处是否发散。结果与局域长度ζ相一致,局域长度ζ在ω_c上方发散为(ω-ω_c)〜(-p),其中指数为p≈1.3±0.5。在移动性边缘以下,我们找不到相关长度出现差异的证据。这种不对称性会与缩放思想相矛盾,我们认为这是一个有限大小的伪像。如果缩放范围比我们的分辨率(大约1 meV)要窄,则不能直接在我们的有限系统上看到它。

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