Finding the stable structures of W${}_x$N${}_1$${}_{-}$${}_x$ with an $ab$$-$$initio$ high-throughput approach

Michael J. Mehl, Daniel Finkenstadt, Christian Dane +2

Using density functional theory calculations, many researchers have predicted that various tungsten-nitride compounds WN${}_x$ ($x$ > 1) will be "ultra-compressible" or "superhard",…