Mapping Rashba-spin-valley coalescence in two-dimensional monolayers via high-throughput first-principles calculations

This study delves into the interplay of symmetry and structure in 2D systems to identify monolayers hosting valley physics together with the Rashba effect. Through high-throughput density functional theory calculations, 57 monolayers are identified exhibiting the Rashba effect, with the Rashba param...

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Bibliographic Details
Published in:Journal of applied physics 2024-09, Vol.136 (12)
Main Authors: Arora, Anu, Sharma, Shivam, De Sarkar, Abir
Format: Article
Language:English
Subjects:
Band theory
Density functional theory
First principles
Monolayers
Parameter identification
Parameter robustness
Physical properties
Polarization (spin alignment)
Splitting
Two dimensional materials
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Summary:This study delves into the interplay of symmetry and structure in 2D systems to identify monolayers hosting valley physics together with the Rashba effect. Through high-throughput density functional theory calculations, 57 monolayers are identified exhibiting the Rashba effect, with the Rashba parameter α R spanning from 0 
ISSN:0021-8979
1089-7550
DOI:10.1063/5.0222745