The relationship between magnetism and catalysis has been an important topic since the
mid-20th century. At present time, the scientific community is well aware that a full …

The theoretical treatment of complex oxide structures requires a combination of efficient
methods to calculate structural, electronic, and magnetic properties, due to special …

The electronic, optical and chemical properties of two-dimensional transition metal
dichalcogenides strongly depend on their three-dimensional atomic structure and crystal …

We present a systematic study of the electronic and magnetic properties of two-dimensional
ordered alloys, consisting of two representative hosts (MnPS3 and NiPS3) of transition metal …

Motivated by the recent wealth of exotic magnetic phases emerging in two-dimensional
frustrated lattices, we investigate the origin of possible magnetism in the monolayer family of …

The heterojunction formed when wide bandgap oxides come into contact with perovskite
solar cells is essential for high efficiency as it minimizes charge leakage along with charge …

Reconstructing hadron spectral functions through Euclidean correlation functions are of the
important missions in lattice QCD calculations. However, in a Källen–Lehmann (KL) spectral …

Intercalation compounds are popular candidate electrode materials for sodium-ion batteries
and other 'beyond lithium-ion'technologies including potassium-and magnesium-ion …

A system of two exchange-coupled Kondo impurities in a magnetic field gives rise to a rich
phase space hosting a multitude of correlated phenomena. Magnetic atoms on surfaces …

We theoretically predict and experimentally demonstrate a nonthermal pathway to optically
enhance superexchange interaction energies in a material based on exciting ligand-to …