School of Physics and Optoelectronic Engineering, Anhui University, Hefei 230601, China.
Department of Chemistry, Colorado State University, Fort Collins, Colorado 80523, USA.
J Chem Phys. 2023 Mar 28;158(12):126101. doi: 10.1063/5.0139596.
Low-frequency vibrational harmonic modes of glasses are frequently used to rationalize their universal low-temperature properties. One well studied feature is the excess low-frequency density of states over the Debye model prediction. Here, we examine the system size dependence of the density of states for two-dimensional glasses. For systems of fewer than 100 particles, the density of states scales with the system size as if all the modes were plane-wave-like. However, for systems greater than 100 particles, we find a different system-size scaling of the cumulative density of states below the first transverse sound mode frequency, which can be derived from the assumption that these modes are quasi-localized. Moreover, for systems greater than 100 particles, we find that the cumulative density of states scales with the frequency as a power law with the exponent that leads to the exponent β = 3.5 for the density of states. For systems whose sizes were investigated, we do not see a size-dependence of exponent β.
玻璃的低频振动谐波模式常被用来解释其普遍的低温性质。一个经过充分研究的特征是,在德拜模型预测的基础上,低频态密度存在过剩。在这里,我们研究了二维玻璃的态密度与系统大小的关系。对于少于 100 个粒子的系统,态密度与系统大小呈线性关系,就好像所有的模式都是平面波一样。然而,对于大于 100 个粒子的系统,我们发现,在第一个横向声模频率以下,累积态密度呈现出不同的系统大小标度,这可以从假设这些模式是准局域的。此外,对于大于 100 个粒子的系统,我们发现,累积态密度与频率呈幂律关系,其指数导致态密度的指数β=3.5。在所研究的系统尺寸范围内,我们没有看到指数β的尺寸依赖性。