LiSr2–xEuxGe3: Light on the Europium Site Preferences
| Autor: | Christian Mensing, Adam Slabon, Eduardo Cuervo-Reyes |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
010405 organic chemistry
Intermetallic chemistry.chemical_element Electronic structure 010402 general chemistry 01 natural sciences Magnetic susceptibility 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials Crystallography General Energy chemistry Ferromagnetism Ab initio quantum chemistry methods Antiferromagnetism Physical and Theoretical Chemistry Europium Solid solution |
| Zdroj: | The Journal of Physical Chemistry C. 120:23121-23128 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/acs.jpcc.6b06144 |
| Popis: | Quaternary Li/Sr/Eu/Ge compounds display a rich variety of structural modifications and magnetic phases. In LiSr2Ge3, the Sr atoms can be substituted with Eu and this leads to only one of the three structure types of the parent compound. Previous evidence indicates that in the solid solution, LiSr2–xEuxGe3, Sr and Eu atoms are not evenly distributed over the two inequivalent crystallographic sites. Here we present a model that accounts quantitatively for this site-preference, combining electronic structure calculations and statistical mechanics. Alongside we report on a new exemplar, LiSr1.5Eu0.5Ge3, which becomes the eighth obtained within the LiSr2–xEuxGe3 system. We also measured the magnetic susceptibility of LiSr1.5Eu0.5Ge3, which shows evidence of mixed ferromagnetic and antiferromagnetic interactions. Ab initio calculations reveal that the electronic structure of LiSr2–xEuxGe3 exhibits, beneath the intermetallic appearance, traces of a Zintl anion. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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