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Doping effects in quantum materials

Grant number: 19/11230-3
Support Opportunities:Scholarships in Brazil - Post-Doctoral
Start date: February 01, 2020
End date: January 31, 2022
Field of knowledge:Physical Sciences and Mathematics - Physics - Condensed Matter Physics
Principal Investigator:Gustavo Martini Dalpian
Grantee:William Fernando Espinosa García
Host Institution: Centro de Ciências Naturais e Humanas (CCNH). Universidade Federal do ABC (UFABC). Santo André , SP, Brazil
Associated research grant:17/02317-2 - Interfaces in materials: electronic, magnetic, structural and transport properties, AP.TEM

Abstract

Quantum effects control many of the properties of materials and, sometimes, these effects lead to the discovery of unusual phenomena. Materials that present these characteristics are usually classified as quantum materials. One of these unusual behaviors is the existence of anti-doping in some compounds. Instead of increasing the conductivity, doping leads to an increase of the resistivity in these materials. This is the case, for instance, of some strongly correlated perovskites and also from materials that are used in Li-ion batteries. In this project we will use ab initio methods, high throughput calculations and machine learning techniques to search for new materials that present anti-doping and also to study the effect of explicit dopants into these compounds. (AU)

News published in Agência FAPESP Newsletter about the scholarship:
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Scientific publications
(The scientific publications listed on this page originate from the Web of Science or SciELO databases. Their authors have cited FAPESP grant or fellowship project numbers awarded to Principal Investigators or Fellowship Recipients, whether or not they are among the authors. This information is collected automatically and retrieved directly from those bibliometric databases.)
ESPINOSA-GARCIA, W. F.; DALPIAN, G. M.. Influence of defects on antidoping behavior in SmNiO3. Physical Review B, v. 104, n. 20, . (19/11230-3)
BAE, SOUNGMIN; ESPINOSA-GARCIA, WILLIAM; KANG, YOON-GU; EGAWA, NORIYUKI; LEE, JUHO; KUWAHATA, KAZUAKI; KHAZAEI, MOHAMMAD; OHNO, KAORU; KIM, YONG-HOON; HAN, MYUNG JOON; et al. MXene Phase with C-3 Structure Unit: A Family of 2D Electrides. ADVANCED FUNCTIONAL MATERIALS, v. 31, n. 24, . (17/02317-2, 19/11230-3)