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 metallicityShow others and affiliations
2022 (English)In: Physical Review Materials, E-ISSN 2475-9953, Vol. 6, no 2, article id 023402Article in journal (Refereed) Published
Abstract [en]
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.
Place, publisher, year, edition, pages
AMER PHYSICAL SOC , 2022. Vol. 6, no 2, article id 023402
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Identifiers
URN: urn:nbn:se:liu:diva-183781DOI: 10.1103/PhysRevMaterials.6.023402ISI: 000763090300002OAI: oai:DiVA.org:liu-183781DiVA, id: diva2:1647304
Note
Funding Agencies|Alexander von Humboldt FoundationAlexander von Humboldt Foundation; Federal Ministry of Education and Research, GermanyFederal Ministry of Education & Research (BMBF) [05K19WC1]; Deutsche Forschungsgemeinschaft (DFG)German Research Foundation (DFG) [DU 954-11/1, DU 393-9/2, DU 393-13/1]; DFGGerman Research Foundation (DFG)European Commission [DFG FOR2125, WI1232]; Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkoping University (Faculty Grant SFO-Mat-LiU) [2009 00971]; BIOVIA
2022-03-252022-03-252022-03-25