Optical cavities confine light on a small region in space, which can result in a strong
coupling of light with materials inside the cavity. This gives rise to new states where quantum …

The lone-pair s states of germanium, tin, and lead underlie many of the unconventional
properties of inorganic metal halide perovskites. Dynamic stereochemical expression of the …

Several classes of materials manifest displacive phase transitions, including shape memory
alloys, many electronically correlated materials, superconductors, and ferroelectrics. Each of …

We demonstrate an approach for calculating temperature-dependent quantum and
anharmonic effects with beyond density-functional theory accuracy. By combining machine …

Light-induced ferroelectricity in quantum paraelectrics is a new avenue of achieving
dynamic stabilization of hidden orders in quantum materials. In this Letter, we explore the …

Traditional ferroelectrics undergo thermally induced phase transitions whereby their
structural symmetry increases. The associated higher-symmetry structure is dubbed …

Quantum effects of lattice vibration play a major role in many physical properties of
condensed-matter systems, including thermal properties, such as specific heat, structural …

Full quantum dynamics of molecules and materials is of fundamental importance, which
requires a faithful description of simultaneous quantum motions of the electron and nuclei. A …

Spatial correlations between atoms can generate a depletion in the energy dispersion of
acoustic phonons. Two well-known examples are rotons in superfluid helium and the Kohn …

We explore the electronic and structural properties of F m 3¯ m Lu-HN structures with
specific N, H ordering due to their remarkably narrow hydrogen-based bands at the Fermi …