Regus, Matthias, Kuhn, Gerhard, Polesya, Svitlana, Mankovsky, Sergiy, Alemayehu, Matti, Stolt, Matthew, Johnson, David C., Ebert, Hubert and Bensch, Wolfgang (2014) Experimental and theoretical investigation of the new, metastable compound Cr3Sb. Zeitschrift Fur Kristallographie, 229 (7). pp. 505-515. DOI 10.1515/zkri-2014-1744.

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Abstract

A new metastable compound Cr3Sb was synthesized as thin film starting from modulated elemental reactant layers. The new compound is cubic and crystallizes in the A15 structure (Cr3Si-type). A variation of the occupancy of the Sb position (0, 0, 0) was observed leading to a Cr-rich sample with formula Cr similar to 6Sb. In-situ X-ray diffraction and reflectivity investigations indicate an interdiffusion of the multilayers and crystallization of the new compound below 350 degrees C. Calculations of the crystal structure and lattice parameter agree well with the experimental results. In addition the existence of a further metastable phase, a Heusler-like alloy, is discussed and supported by DFT calculations.

Document Type:	Article
Additional Information:	Times Cited: 0 0
Keywords:	band structure calculations; DFT; metastable compound; modulated elemental reactant; thin films
Research affiliation:	Kiel University Kiel University > Kiel Marine Science OceanRep > The Future Ocean - Cluster of Excellence
Refereed:	Yes
Open Access Journal?:	No
Publisher:	De Gruyter
Projects:	Future Ocean
Date Deposited:	30 Mar 2015 12:41
Last Modified:	23 Sep 2019 22:51
URI:	https://oceanrep.geomar.de/id/eprint/28154

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