We present both numerical and analytical study of graphene roughness with a
crystal structure including $500 \times 500$ atoms. The roughness can
effectively result in a random gauge field and has important consequences for
its electronic structure. Our results show that its height fluctuations in
small scales have scaling behavior with a temperature dependent roughness
exponent in the interval of $ 0.6 < \chi < 0.7 $. The correlation function of
height fluctuations depends upon temperature with characteristic length scale
of $ \approx 90 {\AA}$ (at room temperature). We show that the correlation
function of the induced gauge field has a short-range nature with correlation
length of about $\simeq 2-3 {\AA}$. We also treat the problem analytically by
using the Martin-Siggia-Rose method. The renormalization group flows did not
yield any delocalized-localized transition arising from the graphene roughness.
Our results are in good agreement with recent experimental observations.Comment: 5 Pages, 5 figure
We investigate the structure and electronic properties of phosphatidylcholine (PC) under different degrees of hydration at the single-molecule and monolayer type level by linear scaling ab initio calculations. Upon hydration, the phospholipid undergoes drastic long-range conformational rearrangements which lead to a sickle-like ground-state shape. The structural unit of the tilted gel-phase PC appears to be a water-bridged PC dimer. We find that hydration dramatically alters the surface potential, dipole and quadrupole moments of the lipids and consequently guides the interactions of the lipids with other molecules and the communication between cells.
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