High-pressure Na-3(N-2)(4), Ca-3(N-2)(4), Sr-3(N-2)(4), and Ba(N-2)(3) featuring nitrogen dimers with noninteger charges and anion-driven metallicity

Laniel, Dominique; Winkler, Bjoern; Fedotenko, Timofey; Aslandukova, Alena; Aslandukov, Andrey; Vogel, Sebastian; Meier, Thomas; Bykov, Maxim; Chariton, Stella; Glazyrin, Konstantin; Milman, Victor; Prakapenka, Vitali; Schnick, Wolfgang; Dubrovinsky, Leonid und Dubrovinskaia, Natalia (2022): High-pressure Na-3(N-2)(4), Ca-3(N-2)(4), Sr-3(N-2)(4), and Ba(N-2)(3) featuring nitrogen dimers with noninteger charges and anion-driven metallicity. In: Physical Review Materials, Bd. 6, Nr. 2, 23402

Abstract

Charged molecular species, such as [N-2](x-), [O-2](x-), [C-2](x-), and [S-2](x-), follow the paradigm of carrying integer values of electrons. Here, the Na-3(N-2)(4), Ca-3(N-2)(4), Sr-3(N-2)(4), and Ba(N-2)(3) compounds were produced and characterized <70 GPa and evidenced to be composed of paradigm-breaking [N-2](x-) dimers with noninteger charges of -0.75, -1.5, -1.5, and -0.67, respectively. The anion-driven metallicity of the compounds is proposed as the physical mechanism enabling the noninteger electron count of the [N-2](x-) dimers. The properties of these dimers and the compounds bearing them are demonstrated to depend on their noninteger charge, paving the way to materials with electron-tunable features.

• Dokumententyp: Zeitschriftenartikel
• Fakultät: Chemie und Pharmazie > Department Chemie
• Themengebiete: 500 Naturwissenschaften und Mathematik > 540 Chemie
• ISSN: 2475-9953
• Sprache: Englisch