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Local magnetism in MnSiPt rules the chemical bond.

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Title: Local magnetism in MnSiPt rules the chemical bond.
Authors: Rosner, Helge1 rosner@cpfs.mpg.de, Leithe-Jasper, Andreas1, Carrillo-Cabrera, Wilder1, Schnelle, Walter1, Ackerbauer, Sarah V.1, Gamza, Monika B.1,2, Grin, Yuri1 grin@cpfs.mpg.de
Source: Proceedings of the National Academy of Sciences of the United States of America. 7/24/2018, Vol. 115 Issue 30, p7706-7710. 5p.
Subjects: Magnetism, Chemical bonds, Intermetallic compounds, Spin polarization, Paramagnetism
Abstract: Among intermetallic compounds, ternary phases with the simple stoichiometric ratio 1:1:1 form one of the largest families. More than 15 structural patterns have been observed for several hundred compounds constituting this group. This, on first glance unexpected, finding is a consequence of the complex mechanism of chemical bonding in intermetallic structures, allowing for large diversity. Their formation process can be understood based on a hierarchy of energy scales: The main share is contributed by covalent and ionic interactions in accordance with the electronic needs of the participating elements. However, smaller additional atomic interactions may still tip the scales. Here, we demonstrate that the local spin polarization of paramagnetic manganese in the new compound MnSiPt rules the adopted TiNiSi-type crystal structure. Combining a thorough experimental characterization with a theoretical analysis of the energy landscape and the chemical bonding of MnSiPt, we show that the paramagnetism of the Mn atoms suppresses the formation of Mn-Mn bonds, deciding between competing crystal structures. [ABSTRACT FROM AUTHOR]
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Database: Engineering Source
Description
Abstract:Among intermetallic compounds, ternary phases with the simple stoichiometric ratio 1:1:1 form one of the largest families. More than 15 structural patterns have been observed for several hundred compounds constituting this group. This, on first glance unexpected, finding is a consequence of the complex mechanism of chemical bonding in intermetallic structures, allowing for large diversity. Their formation process can be understood based on a hierarchy of energy scales: The main share is contributed by covalent and ionic interactions in accordance with the electronic needs of the participating elements. However, smaller additional atomic interactions may still tip the scales. Here, we demonstrate that the local spin polarization of paramagnetic manganese in the new compound MnSiPt rules the adopted TiNiSi-type crystal structure. Combining a thorough experimental characterization with a theoretical analysis of the energy landscape and the chemical bonding of MnSiPt, we show that the paramagnetism of the Mn atoms suppresses the formation of Mn-Mn bonds, deciding between competing crystal structures. [ABSTRACT FROM AUTHOR]
ISSN:00278424
DOI:10.1073/pnas.1806842115