Organismic materials for beyond von Neumann machines

HT Zhang, P Panda, J Lin, Y Kalcheim… - Applied Physics …, 2020 - pubs.aip.org
The elementary basis of intelligence in organisms with a central nervous system includes
neurons and synapses and their complex interconnections forming neural circuits. In non …

Lifshitz transition and frustration of magnetic moments in infinite-layer upon hole do**

I Leonov, SL Skornyakov, SY Savrasov - Physical Review B, 2020 - APS
Motivated by the recent discovery of superconductivity in infinite-layer (Sr, Nd) NiO 2 films
with Sr content x≃ 0.2 [D. Li, Nature (London) 572, 624 (2019) NATUAS 0028-0836 …

Ground-state properties of the hydrogen chain: dimerization, insulator-to-metal transition, and magnetic phases

M Motta, C Genovese, F Ma, ZH Cui, R Sawaya… - Physical Review X, 2020 - APS
Accurate and predictive computations of the quantum-mechanical behavior of many
interacting electrons in realistic atomic environments are critical for the theoretical design of …

Many-Body Electronic Structure of and

J Karp, AS Botana, MR Norman, H Park, M Zingl… - Physical Review X, 2020 - APS
The demonstration of superconductivity in nickelate analogs of high T c cuprates provides
new perspectives on the physics of correlated electron materials. The degree to which the …

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 …

Electronic structure of superconducting nickelates probed by resonant photoemission spectroscopy

Z Chen, M Osada, D Li, EM Been, SD Chen… - Matter, 2022 - cell.com
The discovery of infinite-layer nickelate superconductors has spurred enormous interest.
While the Ni 1+ cations possess nominally the same 3d 9 configuration as Cu 2+ in …

Dependence of results on the construction of the correlated orbitals

J Karp, A Hampel, AJ Millis - Physical Review B, 2021 - APS
The sensitivity of density functional theory plus dynamical mean field theory calculations to
different constructions of the correlated orbitals is investigated via a detailed comparison of …

Mass enhancement in and perovskites from symmetry breaking

Z Wang, OI Malyi, X Zhao, A Zunger - Physical Review B, 2021 - APS
In some d-electron oxides, the measured effective mass m exptl* has long been known to be
significantly larger than the model effective mass m model* deduced from mean-field band …

Molecules in environments: Toward systematic quantum embedding of electrons and Drude oscillators

M Ditte, M Barborini, L Medrano Sandonas… - Physical Review Letters, 2023 - APS
We develop a quantum embedding method that enables accurate and efficient treatment of
interactions between molecules and an environment, while explicitly including many-body …

Many-body electronic structure of layered nickelates

H LaBollita, MC Jung, AS Botana - Physical Review B, 2022 - APS
The recent observation of superconductivity in an infinite-layer and quintuple-layer nickelate
within the same R n+ 1 Ni n O 2 n+ 2 series (R= rare-earth, n= 2−∞, with n indicating the …