Processing, storing, and transmitting information accounts for∼ 10% of global energy use;
projections suggest that computational energy demands will be 10× higher than the …

Memristors have attracted increasing attention due to their tremendous potential to
accelerate data-centric computing systems. The dynamic reconfiguration of memristive …

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 …

The metal–insulator transition driven by electronic correlations is one of the most
fundamental concepts in condensed matter. In mixed-valence compounds, this transition is …

Liquid materials with the ability to transit between conductor and insulator are of great
scientific and practical significance. However, achieving the conduction of a liquid metal …

Using ab initio band structure methods and DFT+ dynamical mean-field theory approach we
explore the possible formation of spin and charge stripes in the Ni–O plane of hole-doped …

The quantitative prediction of electronic properties in correlated materials requires
simulations without empirical truncations and parameters. We present a method to achieve …

We compute the electronic structure, spin and charge state of Fe ions, and the structural
phase stability of paramagnetic CaFeO 3 under pressure using a fully self-consistent in …

We perform a comprehensive theoretical study of the pressure-induced evolution of the
electronic structure, magnetic state, and phase stability of the late transition metal …

We report a theoretical study of the effect of electron-electron interactions and Sr do** on
the electronic structure of infinite-layer (Nd, Sr) NiO 2 using the DFT+ dynamical mean-field …