We combine infrared absorption and Raman scattering spectroscopies to explore the
properties of the heavy transition metal dichalcogenide 1T-HfS2. We employ the LO–TO …

The spin-chain compound Sr 3 NiPtO 6 is known to have a nonmagnetic ground state. We
investigate the nature of the ground state of Sr 3 NiPtO 6 using the magnetic susceptibility χ …

We combined optical spectroscopy and first-principles electronic structure calculations to
reveal the charge gap in the polar magnet Fe 2 Mo 3 O 8. Iron occupation on the octahedral …

In order to explore the consequences of spin–orbit coupling on spin–phonon interactions in
a set of chemically similar mixed metal oxides, we measured the infrared vibrational …

DFT calculations of the Li substitutional defect in diamond based on the B3LYP functional
and a 64-atom supercell indicate that (i) the quartet (Sz= 3/2) state is lower in energy than …

We report the structural and magnetic ground state properties of the monoclinic compound
barium iridium oxide Ba 4 Ir 3 O 10 using a combination of resonant x-ray scattering …

TiO2 dye‐sensitized solar cells (DSSCs) have blazed a new trail out of traditional silicon‐
based photovoltaics. However, extensive applications of DSSCs are limited by the use of …

Complex chalcogenides are superb platforms for revealing the interplay between structure,
charge, and magnetism as well as the unusual states of matter that develop under external …

Molecule-based materials offer unique opportunities to explore the interplay between
charge, spin, and lattice across quantum phase transitions. With their flexible architectures …