Charge carriers and electrical conductivity in fluid molecular dielectrics under wide pressure range

K. Yoshino, A. Khrapak
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Abstract

Fluid hydrogen, oxygen, and nitrogen at very high pressures and temperatures demonstrate high conductivity close to the so-called “minimum metal conductivity”. Electrophysical properties of these liquids in the semi-conducting transition region are practically unknown. In this work a simple model is used for estimating the bottom energy of the electron conduction band and the electron-forbidden gap energy. It is shown that electrons in liquid hydrogen, oxygen, and nitrogen are localized as molecular negative ions surrounded by voids about 0.3–0.5 nm in radius. The conductivity of these fluids at not very high pressures is connected to the transfer of positively charged clusters and negatively charged bubbles created around negative ions. As the pressure and density increase, molecular dissociation occurs and electron localization on atoms becomes more favorable, also with the creation of a void around atomic negative ions. At a sufficiently high concentration of atoms, the probability of the tunnel transition of an electron from one atom to another becomes close to unity, the energy level of the negative ion degenerates in the band, and the conductivity is caused by the transfer of these quasifree electrons. It is supposed that this charge transfer mechanism may play an important role in the dielectric-metal transition region.
宽压力范围下流体分子电介质中的电荷载流子和电导率
在非常高的压力和温度下,流体氢、氧和氮表现出接近所谓的“最低金属导电性”的高导电性。这些液体在半导体过渡区的电物理性质实际上是未知的。本文用一个简单的模型来估计电子导带的底能和电子禁隙的能。结果表明,液态氢、液态氧和液态氮中的电子以分子负离子的形式被半径约0.3 ~ 0.5 nm的空洞包围。在不很高的压力下,这些流体的导电性与带正电荷的簇和在负离子周围产生的带负电荷的气泡的转移有关。随着压力和密度的增加,分子解离发生,原子上的电子定位变得更加有利,同时在原子负离子周围产生空隙。在足够高的原子浓度下,电子从一个原子到另一个原子的隧道跃迁概率接近于1,负离子的能级在能带内简并,电导率是由这些准自由电子的转移引起的。推测这种电荷转移机制可能在介电-金属过渡区起重要作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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