For decades, borides have been primarily studied as crystallographic oddities. With such a
wide variety of structures (a quick survey of the Inorganic Crystal Structure Database counts …

The search for new ultraincompressible, superhard materials has been performed largely
through trial and error. Despite the difficulties in synthesizing such materials, interest in this …

The conversion of waste heat into electricity plays a vital role in energy harvesting since
conventional non‐renewable energy sources have been rapidly approaching the limit of …

In combination with variable-composition evolutionary algorithm calculations and first-
principles calculations, we have systematically searched for all the stable compounds and …

Abstract Chromium tetraboride (CrB 4), a recently proposed candidate for superhard
materials, has been synthesized at high pressure and temperature by a solid-state reaction …

The elastic properties of the orthorhombic cadmium stannate (Cd 2 SnO 4) were
investigated using density functional theory, applying both energy-strain relationship (which …

The discovery of superconductivity in 3d transition‐metal compounds with strong magnetism
is interesting but rare. Especially for Mn‐based compounds, there exist only very limited …

Transition-metal (TM) phosphides attract increasing attention with applications for energy
conversion and storage, due to their outstanding physical, chemical, and electronic …

Transition metal polyborides (eg, tetraborides or triborides) with intriguing boron
configurations offer a unique combination of excellent mechanical, superconducting, optical …

Classical bonding is predominantly understood using the insipid spn hybridization for σ-
bonds as well as π bonds and their delocalized variants. Because hybridization ignores …