Large electrically and chemically tunable Rashba-Dresselhaus effects in Ferroelectric CsGeX$_3$ (X=Cl, Br, I) perovskites

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Main Authors: Popoola, Abduljelili, Maity, Nikhilesh, Kashikar, Ravi, Lisenkov, S., Ponomareva, I.
Format: Preprint
Published: 2024
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author Popoola, Abduljelili
Maity, Nikhilesh
Kashikar, Ravi
Lisenkov, S.
Ponomareva, I.
author_facet Popoola, Abduljelili
Maity, Nikhilesh
Kashikar, Ravi
Lisenkov, S.
Ponomareva, I.
contents Rashba-Dresselhaus effects, which originate from spin-orbit coupling and allow for spin manipulations, are actively explored in materials following the pursuit of spintronics and quantum computing. However, materials that possess practically significant Rashba-Dresselhaus effects often contain toxic elements and offer little opportunity for tunability of the effects. We used first-principles simulations to reveal that the recently discovered halide ferroelectrics in the CsGeX$_3$ (X=Cl, Br, I) family possess large and tunable Rashba-Dresselhaus effects. In particular, they give origin to the spin splitting of up to 171meV in valence band of CsGeI$_3$. The value is chemically tunable and can decrease by 25% and 70% for CsGeBr$_3$ and CsGeCl$_3$, respectively. Such chemical tunability could result in engineering of desired values through solid solution technique. Application of electric field was found to result in structural changes that could both decrease and increase spin splitting leading to electrical tunability of the effect. In the vicinity of conduction and valence band extrema, the spin textures are mostly of Rashba type which is promising for spin-to-charge conversion applications. The spin directions are coupled with the polarization direction leading to Rashba-ferroelectricity co-functionality. Our work identifies lead-free perovskite halides as excellent candidates for spin-based applications and is likely to stimulate further research in this direction.
format Preprint
id arxiv_https___arxiv_org_abs_2407_14420
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Large electrically and chemically tunable Rashba-Dresselhaus effects in Ferroelectric CsGeX$_3$ (X=Cl, Br, I) perovskites
Popoola, Abduljelili
Maity, Nikhilesh
Kashikar, Ravi
Lisenkov, S.
Ponomareva, I.
Materials Science
Rashba-Dresselhaus effects, which originate from spin-orbit coupling and allow for spin manipulations, are actively explored in materials following the pursuit of spintronics and quantum computing. However, materials that possess practically significant Rashba-Dresselhaus effects often contain toxic elements and offer little opportunity for tunability of the effects. We used first-principles simulations to reveal that the recently discovered halide ferroelectrics in the CsGeX$_3$ (X=Cl, Br, I) family possess large and tunable Rashba-Dresselhaus effects. In particular, they give origin to the spin splitting of up to 171meV in valence band of CsGeI$_3$. The value is chemically tunable and can decrease by 25% and 70% for CsGeBr$_3$ and CsGeCl$_3$, respectively. Such chemical tunability could result in engineering of desired values through solid solution technique. Application of electric field was found to result in structural changes that could both decrease and increase spin splitting leading to electrical tunability of the effect. In the vicinity of conduction and valence band extrema, the spin textures are mostly of Rashba type which is promising for spin-to-charge conversion applications. The spin directions are coupled with the polarization direction leading to Rashba-ferroelectricity co-functionality. Our work identifies lead-free perovskite halides as excellent candidates for spin-based applications and is likely to stimulate further research in this direction.
title Large electrically and chemically tunable Rashba-Dresselhaus effects in Ferroelectric CsGeX$_3$ (X=Cl, Br, I) perovskites
topic Materials Science
url https://arxiv.org/abs/2407.14420