Nonvolatile Ferroic and Topological Phase Control under Nonresonant Light.

Light-matter interaction is a long-standing promising topic that can be dated back to a few centuries ago and has witnessed the long-term debate between the particle and wave nature of light. In modern condensed matter physics and materials science, light usually serves as a detection tool to effectively characterize the physical and chemical features of samples. The light modulation on intrinsic properties of materials, such as atomic geometries, electronic bands, and magnetic behaviors, is more intriguing for information control and storage.

On the self-consistency of DFT-1/2.

Density functional theory (DFT)-1/2 is an efficient bandgap rectification method for DFT under local density approximation (LDA) or generalized gradient approximation. It was suggested that non-self-consistent DFT-1/2 should be used for highly ionic insulators like LiF, whereas self-consistent DFT-1/2 should still be used for other compounds. Nevertheless, there is no quantitative criterion prescribed for which implementation should work for an arbitrary insulator, which leads to severe ambiguity in this method.

DFT-1/2 and shell DFT-1/2 methods: electronic structure calculation for semiconductors at LDA complexity.

It is known that the Kohn-Sham eigenvalues do not characterize experimental excitation energies directly, and the band gap of a semiconductor is typically underestimated by local density approximation (LDA) of density functional theory (DFT). An embarrassing situation is that one usually uses LDA+for strongly correlated materials with rectified band gaps, but for non-strongly-correlated semiconductors one has to resort to expensive methods like hybrid functionals or. In spite of the state-of-the-art meta-generalized gradient approximation functionals like TB-mBJ and SCAN, methods with LDA-level complexity to rectify the semiconductor band gaps are in high demand.