Motivated by the recent experimental discovery of superconductivity in the infinite-layer
nickelate Nd 0.8 Sr 0.2 NiO 2 [Li, Nature (London) 572, 624 (2019) 10.1038/s41586-019 …

We performed a detailed microscopic analysis of the interlayer magnetic couplings for
bilayer CrI 3. As a first step toward understanding recent experimental observations and …

We briefly review the status quo of research on the putative superconductor Pb 9 Cu (PO 4)
6 O also known as LK-99. Further, we provide ab initio derived tight-binding parameters for a …

Quantum fluctuations in low-dimensional systems and near quantum phase transitions have
significant influences on material properties. Yet, it is difficult to experimentally gauge the …

Effective models are constructed for a newly discovered superconductor (Nd, Sr) Ni O 2,
which has been considered as a possible nickelate analog of the cuprates. Estimation of the …

We show how an accurate first-principles treatment of the antiferromagnetic ground state of
La 2 CuO 4 can be obtained without invoking any free parameters such as the Hubbard U …

First-principles density functional theory calculations are performed to understand the
electronic structure and interaction parameters for recently discovered superconducting …

Motivated by the recent discovery of superconductivity in the Sr-doped layered nickelate
NdNiO 2, we perform a systematic computational materials design of layered nickelates that …

Motivated by cuprate and nickelate superconductors, we perform a comprehensive study of
the superconducting instability in the single-band Hubbard model. We calculate the …

CrI3, a hot two-dimensional (2D) magnet, exhibits complex magnetism depending on the
number of layers and interlayer stacking patterns. For bilayer CrI3, the interlayer magnetism …