arXivDaily arXiv每日学术速递 周一至周五更新
arXiv周末暂无论文更新,休息一下吧,周末愉快~~
arXiv 2304.08081cond-mat.mes-hallcond-mat.dis-nncond-mat.mtrl-scicond-mat.soft
收藏

螺旋分子的热学特征:超越最近邻电子跃迁

Thermal signature of helical molecule: Beyond nearest-neighbor electron hopping

Suparna Sarkar, Santanu K. Maiti, David Laroze

AI总结:

本文首次研究超越最近邻跃迁的单链螺旋分子热学特征,对比短程与长程跃迁螺旋在电场作用下的电子比热行为,揭示低温与高温下敏感性反转及电场调控规律。

摘要:

我们首次通过分析电子比热,研究了超越通常最近邻电子跃迁描述的单链螺旋分子的热学特征。根据电子跃迁方式的不同,考虑了两类螺旋系统。一类中跃迁被限制在少数相邻格点内,称为短程跃迁螺旋;另一类中电子可以跃迁到所有可能格点,使系统成为长程跃迁系统。这两种螺旋分别精确模拟了单链DNA和蛋白质分子的结构。每种螺旋几何结构都受到垂直于螺旋轴施加的横向电场作用。螺旋性、高阶跃迁和电场之间的相互作用对热响应有显著影响。我们全面的理论分析表明,在低温条件下,短程跃迁螺旋比长程跃迁螺旋系统对温度表现出更高的敏感性。相反,在高温极限下情况发生反转。螺旋的热响应可以通过电场进行选择性调控,并且两种螺旋的比热之差随电场强度增加而逐渐减小。另一方面,分子手性对热学特征没有任何可察觉的影响。此外,我们还探索了电子比热(ESH)的一个重要应用。最后,我们通过考虑自旋自由度并在真实生物螺旋系统的背景下讨论了ESH的结果。

英文摘要:

We investigate, for the first time, the thermal signature of a single-stranded helical molecule that is described beyond usual nearest-neighbor electron hopping, by analyzing electronic specific heat. Depending on the hopping of electrons, two different kinds of helical systems are considered. In one case the hopping is confined within a few neighboring lattice sites which is referred to as short-range hopping helix, while in the other case, electrons can hop in all possible sites making the system a long-range hopping one. These two helices accurately emulate the structures of single-stranded DNA and protein molecules, respectively. Each helix geometry is exposed to a transverse electric field applied perpendicular to the helix axis. The interplay among the helicity, higher-order hopping, and the electric field has significant impact on thermal response. Our comprehensive theoretical analysis reveals that, under low-temperature conditions, the short-range hopping helix exhibits greater sensitivity to temperature compared to the long-range hopping helix system. Conversely, the scenario reverses in the high-temperature limit. The thermal response of the helices can be modified selectively by means of the electric field, and the difference between the specific heats of the two helices gradually decreases with increasing the field strength. The molecular handedness, on the other hand, does not have any appreciable effect on the thermal signature. In addition, we also explore a significant application of electronic specific heat (ESH). Finally, we discuss the results of ESH by considering the spin degree of freedom and in the context of real biological helical systems.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑