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Interface-induced effects in quantum materials

Grant number: 18/11856-7
Support Opportunities:Scholarships in Brazil - Post-Doctoral
Effective date (Start): August 01, 2018
Effective date (End): January 31, 2022
Field of knowledge:Physical Sciences and Mathematics - Physics - Condensed Matter Physics
Principal Investigator:Gustavo Martini Dalpian
Grantee:Carlos Augusto Mera Acosta
Host Institution: Centro de Ciências Naturais e Humanas (CCNH). Universidade Federal do ABC (UFABC). Ministério da Educação (Brasil). Santo André , SP, Brazil
Associated research grant:17/02317-2 - Interfaces in materials: electronic, magnetic, structural and transport properties, AP.TEM
Associated scholarship(s):19/03663-7 - Interface-induced effects in Quantum Materials: Rashba/ferroeletric interfaces, BE.EP.PD

Abstract

This project is based on the idea that quantum effects emerging by virtue of the interface itself can be directly used to control the spin orientation. Specifically, instead of searching for suitable interfaces to decrease the quantum tunneling phenomena in the current electronic device models, we propose to explore the manipulation of interface as a mechanism to control the spin-polarization i) inducing giant Rashba spin-splitting either by doping ferroelectric compounds with heavy atoms or through the surface/interfaces itself and ii) changing the polarization of a ferroelectric material to switch the in-plane spin-texture in Rashba-semiconductor. The main objective of this project, to understand and design heterogeneous interfaces that enable quantum control through manipulation of the interfacial bonds, will be addressed using density functional theory, high-throughput calculations and machine learning analytic tools. (AU)

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Scientific publications (10)
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
NASCIMENTO, GABRIEL M.; OGOSHI, ELTON; FAZZIO, ADALBERTO; ACOSTA, CARLOS MERA; DALPIAN, GUSTAVO M.. High-throughput inverse design and Bayesian optimization of functionalities: spin splitting in two-dimensional compounds. SCIENTIFIC DATA, v. 9, n. 1, p. 18-pg., . (17/02317-2, 19/04176-2, 18/11856-7, 18/11641-0)
COSTA, MARCIO; SCHLEDER, GABRIEL R.; MERA ACOSTA, CARLOS; PADILHA, ANTONIO C. M.; CERASOLI, FRANK; BUONGIORNO NARDELLI, MARCO; FAZZIO, ADALBERTO. Discovery of higher-order topological insulators using the spin Hall conductivity as a topology signature. NPJ COMPUTATIONAL MATERIALS, v. 7, n. 1, . (17/02317-2, 16/14011-2, 17/18139-6, 18/11856-7, 18/05565-0)
ACOSTA, CARLOS MERA; OGOSHI, ELTON; SOUZA, JOSE ANTONIO; DALPIAN, GUSTAVO M.. Machine Learning Study of the Magnetic Ordering in 2D Materials. ACS APPLIED MATERIALS & INTERFACES, v. 14, n. 7, p. 15-pg., . (18/11856-7, 18/11641-0, 17/02317-2)
ACOSTA, CARLOS MERA; OGOSHI, ELTON; FAZZIO, ADALBERTO; DALPIAN, GUSTAVO M.; ZUNGER, ALEX. The Rashba Scale: Emergence of Band Anti-crossing as a Design Principle for Materials with Large Rashba Coefficient. MATTER, v. 3, n. 1, p. 145-165, . (17/02317-2, 18/11641-0, 18/11856-7)
MALYI, I, OLEKSANDR; ACOSTA, CARLOS MERA. Amorphization of Indirect Band Gap Semiconductors To Tune Their Optoelectronic Properties. Journal of Physical Chemistry C, v. 124, n. 27, p. 14432-14438, . (18/11856-7)
SCHLEDER, GABRIEL R.; PADILHA, ANTONIO C. M.; ACOSTA, CARLOS MERA; COSTA, MARCIO; FAZZIO, ADALBERTO. From DFT to machine learning: recent approaches to materials science-a review. JOURNAL OF PHYSICS-MATERIALS, v. 2, n. 3, p. 46-pg., . (18/11856-7, 18/05565-0, 17/02317-2, 16/14011-2, 17/18139-6)
ACOSTA, CARLOS MERA; FAZZIO, ADALBERTO; DALPIAN, GUSTAVO M.; ZUNGER, ALEX. Inverse design of compounds that have simultaneously ferroelectric and Rashba cofunctionality. PHYSICAL REVIEW B, v. 102, n. 14, p. 16-pg., . (17/02317-2, 18/11856-7)
SCHLEDER, GABRIEL R.; ACOSTA, CARLOS MERA; FAZZIO, ADALBERTO. Exploring Two-Dimensional Materials Thermodynamic Stability via Machine Learning. ACS APPLIED MATERIALS & INTERFACES, v. 12, n. 18, p. 20149-20157, . (18/11856-7, 17/18139-6, 17/02317-2)
ACOSTA, CARLOS MERA; FAZZIO, ADALBERTO; DALPIAN, GUSTAVO M.. Zeeman-type spin splitting in nonmagnetic three-dimensional compounds. NPJ QUANTUM MATERIALS, v. 4, . (18/11856-7, 17/02317-2)
ACOSTA, CARLOS MERA; YUAN, LINDING; DALPIAN, GUSTAVO M.; ZUNGER, ALEX. Different shapes of spin textures as a journey through the Brillouin zone. Physical Review B, v. 104, n. 10, . (18/11856-7, 19/03663-7, 17/02317-2)

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