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

Since the early 2000s, the impending end of Moore's scaling, as the physical limits to
shrinking transistors have been approached, has fueled interest in improving the …

Many materials exhibit phase transitions at which both the electronic properties and the
crystal structure change. Some authors have argued that the change in electronic order is …

Some ABX 3 perovskites exhibit different local environments (DLE) for the same B atoms in
the lattice, an effect referred to as disproportionation, distinguishing such compounds from …

Unconventional superconductivity in bulk materials under ambient pressure is extremely
rare among the 3d transition metal compounds outside the layered cuprates and iron-based …

Creating new functionality in materials containing transition metals is predicated on the
ability to control the associated charge states. For a given transition metal, there is an upper …

SrCoO2. 5 (SCO) bulk is found to be a charge-transfer insulator with a positive value of
charge-transfer energy (Δ) and 3d6 ground state, which achieves the antiferromagnetic …

We have investigated the electronic and optical properties of epitaxial L a 1-x S rx Fe O 3 for
0≤ x≤ 1 prepared by molecular-beam epitaxy. Core-level and valence-band x-ray …

The mechanisms that drive metal-to-insulator transitions (MIT) in correlated solids are not
fully understood, though intricate couplings of charge, spin, orbital, and lattice degrees of …

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 …