Modern Approach to Orbital Hall Effect Based on Wannier Picture of Solids
Mirco Sastges, Insu Baek, Hojun Lee, Hyun-Woo Lee, Yuriy Mokrousov + 1 more
TLDR
This paper introduces a modern Wannier-function approach to accurately calculate Orbital Hall Conductivity, capturing both local and itinerant contributions.
Key contributions
- New Wannier-function approach quantifies the Orbital Angular Momentum (OAM) operator for OHC.
- Captures both local and itinerant contributions to OHC, improving on atom-centered approximations.
- First-principles calculations reveal significant non-local corrections to OHC in various materials.
Why it matters
This paper provides a more accurate and comprehensive method for calculating Orbital Hall Conductivity. It addresses limitations of previous approximations by including non-local effects, leading to a better understanding of orbital dynamics. This is crucial for designing and predicting properties of complex materials.
Original Abstract
In the field of orbital dynamics and orbital transport, a particularly important quantity is the so-called orbital Hall conductivity (OHC), which is expressed in terms of operators of velocity and orbital angular momentum (OAM). To overcome the difficulties in treating the unbounded position operator, very often atom-centered approximations are used, which capture only a part of the local contributions to the OAM operator. Here, we promote a new approach to quantify the OAM operator in the basis of Wannier functions, which is based on the modern theory of orbital magnetization and which captures both local and itinerant contributions to the OHC. By performing first-principles calculations for various materials, we show that significant corrections to the OHC by non-local effects arise when compared to common approximations. Our approach improves the understanding of the OAM in solids and allows for a precise estimation of various orbital effects in complex materials.
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