Chemically and electrically tunable spin polarization in ferroelectric Cd-based hybrid organic-inorganic perovskites
Abstract
Density functional theory computations are used to predict the electronic structure of Cd-based hybrid organic-inorganic high-TC ferroelectric perovskites with TMCM-CdCl3 being one representative. Here we report Rashba-Dresselhaus spin splitting in the valence band of these nonmagnetic compounds. Interestingly, we find in computations that the splitting is not necessarily sensitive to the polarization of the material but to the organic molecule itself which opens a way to its chemical tunability through the choice of the molecule. Further chemical tunability of spin splitting is shown to be possible through a substitution of Cl in the CdCl3 chains as the valence band was found to originate from Cl-Cl weekly bonding orbitals. For example, the substitution of Cl with Br in TMCM-CdCl3 resulted in a ten times increase of spin splitting. Furthermore, the spin polarization in these materials gives origin to persistent spin textures which are coupled to the polarization direction, and, therefore, can be controlled by the electric field. This is promising for spintronics applications.
- Authors:
-
[2];
- University of South Florida, Tampa, FL (United States)
- University of South Florida, Tampa, FL (United States); Bhabha Atomic Research Centre, Mumbai (India)
- Indian Institute of Technology Madras, Chennai (India)
- Publication Date:
- Research Org.:
- Univ. of South Florida, Tampa, FL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); Department Of Science & Technology (DST)
- OSTI Identifier:
- 1979691
- Grant/Contract Number:
- SC0005245; CRG/2020/004330
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. B
- Additional Journal Information:
- Journal Volume: 104; Journal Issue: 23; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; electronic structure; ferroelectricity; first-principles; spin texture; ferroelectrics; perovskites; density functional calculations
Citation Formats
Kashikar, Ravi, Ghosh, P. S., Lisenkov, S., Nanda, B. R. K., and Ponomareva, I. Chemically and electrically tunable spin polarization in ferroelectric Cd-based hybrid organic-inorganic perovskites. United States: N. p., 2021.
Web. doi:10.1103/physrevb.104.235132.
Kashikar, Ravi, Ghosh, P. S., Lisenkov, S., Nanda, B. R. K., & Ponomareva, I. Chemically and electrically tunable spin polarization in ferroelectric Cd-based hybrid organic-inorganic perovskites. United States. https://doi.org/10.1103/physrevb.104.235132
Kashikar, Ravi, Ghosh, P. S., Lisenkov, S., Nanda, B. R. K., and Ponomareva, I. Fri .
"Chemically and electrically tunable spin polarization in ferroelectric Cd-based hybrid organic-inorganic perovskites". United States. https://doi.org/10.1103/physrevb.104.235132. https://www.osti.gov/servlets/purl/1979691.
@article{osti_1979691,
title = {Chemically and electrically tunable spin polarization in ferroelectric Cd-based hybrid organic-inorganic perovskites},
author = {Kashikar, Ravi and Ghosh, P. S. and Lisenkov, S. and Nanda, B. R. K. and Ponomareva, I.},
abstractNote = {Density functional theory computations are used to predict the electronic structure of Cd-based hybrid organic-inorganic high-TC ferroelectric perovskites with TMCM-CdCl3 being one representative. Here we report Rashba-Dresselhaus spin splitting in the valence band of these nonmagnetic compounds. Interestingly, we find in computations that the splitting is not necessarily sensitive to the polarization of the material but to the organic molecule itself which opens a way to its chemical tunability through the choice of the molecule. Further chemical tunability of spin splitting is shown to be possible through a substitution of Cl in the CdCl3 chains as the valence band was found to originate from Cl-Cl weekly bonding orbitals. For example, the substitution of Cl with Br in TMCM-CdCl3 resulted in a ten times increase of spin splitting. Furthermore, the spin polarization in these materials gives origin to persistent spin textures which are coupled to the polarization direction, and, therefore, can be controlled by the electric field. This is promising for spintronics applications.},
doi = {10.1103/physrevb.104.235132},
journal = {Physical Review. B},
number = 23,
volume = 104,
place = {United States},
year = {Fri Dec 17 00:00:00 EST 2021},
month = {Fri Dec 17 00:00:00 EST 2021}
}
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