Unified Dielectric Nature of Two-Dimensional Materials
ORAL
Abstract
Dielectric constant, which defines the polarization of the media, is a key quantity in condensed matter. It describes to a large degree the electron-electron interaction, which has a crucial effect on band gaps, optical excitations, and screening. Here we show that instead of the dielectric constant ε, the 2D polarizabilty α correctly captures the dielectric nature of a 2D material for both in-plane and out-of-plane polarizations. We reveal that the long-sought universal dielectric-scale relationships in the 2D world: the in-plane polarizability α|| is inversely proportional to the minimal bandgap Eg, while the out-of-plane polarizability α⊥ is directly related to intrinsic thickness of the 2D material. An analytical quantum-mechanical model is developed which give a sound background to the dielectric-scale relationships, which is supported by a broad high-throughput screening over thousands of materials. Moreover, such relations unify the dielectric properties between the 2D materials and their 3D counterparts in a natural manner, which ultimately pushes the boundary of the understanding of electronic screening in both dimensions.
*ARCHER supercomputer, via UKCP (EP/K013564/1); the UK MMM Hub for access to THOMAS (EP/P020194/1). The Queen’s Fellow Award (M8407MPH), DfE (USI 097).
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Presenters
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Elton Santos
- School of Mathematics and Physics, BT71NN, United Kingdom, Queen's University Belfast