Complex oxides for brain‐inspired computing: A review
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 …
seek to implement knowledge gleaned from the natural world into human‐designed …
[HTML][HTML] Origin of band gaps in 3d perovskite oxides
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 …
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
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 …
3d shells has been traditionally explained in terms of strong, dynamic interelectronic …
[HTML][HTML] False metals, real insulators, and degenerate gapped metals
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 …
structure theory to be metals but are, in fact, insulators. This false metallic state has been …
Comparative many-body study of and
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 …
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
Rare-earth nickelates exhibit a remarkable metal-insulator transition accompanied by a
symmetry-lowering structural distortion. Using model considerations and first-principles …
symmetry-lowering structural distortion. Using model considerations and first-principles …
High-density electron doping of from first principles
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 …
(SmNiO 3), accessible in a reversible manner via high-density electron doping. To elucidate …
solid_dmft: gray-boxing DFT+ DMFT materials simulations
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 …
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
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 …
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 …
interactions and long-range magnetic order through changes in local electronic …