The coloring problem in intermetallics: bonding and properties of Tb3Zn3.6Al7.4 with the La3Al11 structure type

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2005-01-01
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Canfield, Paul
Han, Mi-Kyung
Morosan, Emilia
Canfield, Paul
Miller, Gordon
Miller, Gordon
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Abstract

Single crystals of the new compound Tb3Zn3.6(1)Al7.4(1) were obtained from Al and Zn-rich ternary solutions. The title compound crystallizes in the orthorhombic La3Al11 structure type (space group Immm (No. 71), Z = 2; a = 4.2334(1) Å, b = 9.9725(3) Å, c = 12.4659(1) Å). The inverse susceptibility above ca. 50 K shows Curie-Weiss behavior, and a metamagnetic transition is apparent in the T = 2 K field-dependent magnetization around Hc ∼ 20 kG. The resistivity increases with temperature in a roughly linear fashion, indicating the metallic character of this material. TB-LMTO-ASA electronic structure calculations indicate that this new intermetallic phase has all bonding states optimized in the [Zn4–xAl7+x] network, which classifies this compound among the so-called “polar intermetallics”. The calculations also provide a rationalization of the nonrandom ordering of Zn and Al atoms, which can be attributed to optimizing (Zn, Al)—(Zn, Al) orbital interactions.

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<p>This article is from <em>Zeitschrift für Kristallographie - Crystalline Materials </em>220 (2005): 95, <a href="http://dx.doi.org/10.1524/zkri.220.2.95.59124" target="_blank">doi:10.1524/zkri.220.2.95.59124</a>. Posted with permission.</p>
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