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Chemical bonding and electronic-structure in MAX phases as viewed by X-ray spectroscopy and density functional theory
Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.ORCID-id: 0000-0002-0317-0190
Departamento de Física de la Tierra, Astronomía y Astrofísica I, , Madrid, Spain Instituto de Geociencias (CSIC-UCM), Facultad de CC. Físicas, Madrid, Spain.
Rekke forfattare: 22017 (engelsk)Inngår i: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 621, s. 108-130Artikkel, forskningsoversikt (Fagfellevurdert) Published
Abstract [en]

This is a critical review of MAX-phase carbides and nitrides from an electronic-structure and chemical bonding perspective. This large group of nanolaminated materials is of great scientific and technological interest and exhibit a combination of metallic and ceramic features. These properties are related to the special crystal structure and bonding characteristics with alternating strong M-C bonds in high-density MC slabs, and relatively weak M-A bonds between the slabs. Here, we review the trend and relationship between the chemical bonding, conductivity, elastic and magnetic properties of the MAX phases in comparison to the parent binary MX compounds with the underlying electronic structure probed by polarized X-ray spectroscopy. Spectroscopic studies constitute important tests of the results of state-of-the-art electronic structure density functional theory that is extensively discussed and are generally consistent. By replacing the elements on the M, A, or X-sites in the crystal structure, the corresponding changes in the conductivity, elasticity, magnetism and other materials properties makes it possible to tailor the characteristics of this class of materials by controlling the strengths of their chemical bonds.

sted, utgiver, år, opplag, sider
Elsevier, 2017. Vol. 621, s. 108-130
Emneord [en]
Nanolaminates, Chemical bonding, X-ray emission spectroscopy, Electronic-structure calculations, Elastic and magnetic properties, Seebeck measurements
HSV kategori
Identifikatorer
URN: urn:nbn:se:liu:diva-132966DOI: 10.1016/j.tsf.2016.11.005ISI: 000392681900019OAI: oai:DiVA.org:liu-132966DiVA, id: diva2:1052391
Forskningsfinansiär
Carl Tryggers foundation Swedish Foundation for Strategic Research
Merknad

Funding agencies: Swedish Foundation for Strategic Research (SSF) through the synergy grant FUNCASE [RMA11-0029]; Spanish Ministry of Economy and Competitiveness [CGL2013-41860-P]; BBVA Foundation under the "I convocatoria de Ayudas Fundacion BBVA a Investigadores, Innovad

Tilgjengelig fra: 2016-12-06 Laget: 2016-12-06 Sist oppdatert: 2018-02-06

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Fulltekst tilgjengelig fra 2018-11-30 08:00
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Forlagets fulltekstX-ray spectroscopy webpageRIXS webpageArXiV fulltext

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