Complex oxides for brain‐inspired computing: A review

TJ Park, S Deng, S Manna, ANMN Islam… - Advanced …, 2023 - Wiley Online Library
The fields of brain‐inspired computing, robotics, and, more broadly, artificial intelligence (AI)
seek to implement knowledge gleaned from the natural world into human‐designed …

[HTML][HTML] Origin of band gaps in 3d perovskite oxides

J Varignon, M Bibes, A Zunger - Nature communications, 2019 - nature.com
With their broad range of properties, ABO3 transition metal perovskite oxides have long
served as a platform for device applications and as a testing bed for different condensed …

Mott gapping in perovskites without Mott-Hubbard interelectronic repulsion energy U

J Varignon, M Bibes, A Zunger - Physical Review B, 2019 - APS
The existence of band gaps in Mott insulators such as perovskite oxides with partially filled
3d shells has been traditionally explained in terms of strong, dynamic interelectronic …

[HTML][HTML] False metals, real insulators, and degenerate gapped metals

OI Malyi, A Zunger - Applied Physics Reviews, 2020 - pubs.aip.org
This paper deals with a significant family of compounds predicted by simplistic electronic
structure theory to be metals but are, in fact, insulators. This false metallic state has been …

Comparative many-body study of and

J Karp, A Hampel, M Zingl, AS Botana, H Park… - Physical Review B, 2020 - APS
We study the many-body electronic structure of the stoichiometric and electron-doped
trilayer nickelate Pr 4 Ni 3 O 8 in comparison to that of the stoichiometric and hole-doped …

Mechanism and control parameters of the coupled structural and metal-insulator transition in nickelates

OE Peil, A Hampel, C Ederer, A Georges - Physical Review B, 2019 - APS
Rare-earth nickelates exhibit a remarkable metal-insulator transition accompanied by a
symmetry-lowering structural distortion. Using model considerations and first-principles …

High-density electron doping of from first principles

M Kotiuga, KM Rabe - Physical Review Materials, 2019 - APS
Recent experimental work has realized a new insulating state of samarium nickelate
(SmNiO 3), accessible in a reversible manner via high-density electron doping. To elucidate …

solid_dmft: gray-boxing DFT+ DMFT materials simulations

ME Merkel, A Carta, S Beck… - The Journal of Open …, 2022 - research-collection.ethz.ch
Strongly correlated systems are a class of materials whose electronic structure is heavily
influenced by the effect of electron-electron interactions. In these systems, an effective single …

Rise and fall of Mott insulating gaps in paramagnets as a reflection of symmetry breaking and remaking

OI Malyi, A Zunger - Physical Review Materials, 2023 - APS
The YNiO 3 nickelate is a paradigm d-electron oxide that manifests the intriguing
temperature-mediated sequence of three phases transitions from (i) magnetically ordered …

Magnetic structure of oxygen-deficient perovskite nickelates with ordered vacancies

Y Shin, JM Rondinelli - Physical Review Research, 2022 - APS
The oxygen vacancy concentration in LaNiO 3− δ nickelate perovskites affects magnetic
interactions and long-range magnetic order through changes in local electronic …