Controlling oxygen mobility in Ruddlesden–Popper oxides

D Lee, HN Lee - Materials, 2017 - mdpi.com
Discovering new energy materials is a key step toward satisfying the needs for next-
generation energy conversion and storage devices. Among the various types of oxides …

A global inversion-symmetry-broken phase inside the pseudogap region of YBa2Cu3Oy

L Zhao, CA Belvin, R Liang, DA Bonn, WN Hardy… - Nature Physics, 2017 - nature.com
The phase diagram of cuprate high-temperature superconductors features an enigmatic
pseudogap region that is characterized by a partial suppression of low-energy electronic …

Hidden magnetism at the pseudogap critical point of a cuprate superconductor

M Frachet, I Vinograd, R Zhou, S Benhabib, S Wu… - Nature Physics, 2020 - nature.com
The nature of the pseudogap phase of hole-doped cuprate superconductors is still not
understood fully. Several experiments have suggested that this phase ends at a critical hole …

First-principles calculations of x-ray absorption in a scheme based on ultrasoft pseudopotentials: From -quartz to high- compounds

C Gougoussis, M Calandra, AP Seitsonen… - Physical Review B …, 2009 - APS
We develop a first-principles scheme based on the continued-fraction approach and ultrasoft
pseudopotentials to calculate K-edge x-ray absorption spectra in solids, allowing such …

Unveiling unequivocal charge stripe order in a prototypical cuprate superconductor

J Choi, Q Wang, S Jöhr, NB Christensen, J Küspert… - Physical review …, 2022 - APS
In the cuprates, high-temperature superconductivity, spin-density-wave order, and charge-
density-wave (CDW) order are intertwined, and symmetry determination is challenging due …

Momentum-resolved electronic excitations in the Mott insulator studied by resonant inelastic x-ray scattering

K Ishii, I Jarrige, M Yoshida, K Ikeuchi, J Mizuki… - Physical Review B …, 2011 - APS
We report an Ir L 3 edge resonant inelastic x-ray scattering measurement of the low-lying
electronic excitations in Sr 2 IrO 4 over the complete Brillouin zone of the IrO 2 plane. A …

[图书][B] Fundamentals of perovskite oxides: synthesis, structure, properties and applications

G George, SR Ede, Z Luo - 2020 - taylorfrancis.com
This textbook entitled Fundamentals of Perovskite Oxides: Synthesis, Structure, Properties
and Applications summarizes the structure, synthesis routes, and potential applications of …

First-principles treatment of Mott insulators: linearized QSGW+ DMFT approach

S Choi, A Kutepov, K Haule, M Van Schilfgaarde… - npj Quantum …, 2016 - nature.com
The theoretical understanding of emergent phenomena in quantum materials is one of the
greatest challenges in condensed matter physics. In contrast to simple materials such as …

Magnetic order in the quasi-one-dimensional spin- molecular chain compound copper pyrazine dinitrate

T Lancaster, SJ Blundell, ML Brooks, PJ Baker… - Physical Review B …, 2006 - APS
We present evidence of magnetic order in the quasi-one-dimensional spin-1/2 molecular
chain compound, copper pyrazine dinitrate Cu (C 4 H 4 N 2)(NO 3) 2. Zero field muon-spin …

Krylov variational quantum algorithm for first principles materials simulations

F Jamet, A Agarwal, C Lupo, DE Browne… - arXiv preprint arXiv …, 2021 - arxiv.org
We propose an algorithm to obtain Green's functions as a continued fraction on quantum
computers, which is based on the construction of the Krylov basis using variational quantum …