Metallic propertiesof Ba2Cu3P4 and BaCu2Pn2 (Pn=As, Sb)

Journal Article · Sun Jan 01 00:00:00 EST 2012 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2012.03.036· OSTI ID:1042912

Saparov, Bayrammurad I ^[1]; Safa-Sefat, Athena ^[1]

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1. ORNL

We report the synthesis of ternary barium copper pnictides, Ba{sub 2}Cu{sub 3}P{sub 4} and BaCu{sub 2}Pn{sub 2} (Pn=As, Sb), and their structural, magnetic, and transport properties. They all crystallize in different structures shown by X-ray diffraction, although their structures reveal close relations. The body-centered tetragonal BaCu{sub 2}As{sub 2} adopts ThCr{sub 2}Si{sub 2}-type (I4/mmm) structure, whereas Ba{sub 2}Cu{sub 3}P{sub 4} is a copper-deficient derivative of this phase, crystallizing in the body-centered orthorhombic space group, Ibam. There are two polymorphs of BaCu{sub 2}Sb{sub 2}: {alpha}-BaCu{sub 2}Sb{sub 2} that adopts CaBe{sub 2}Ge{sub 2}-type structure; {beta}-BaCu{sub 2}Sb{sub 2} that is a 2:1 combination of CaBe{sub 2}Ge{sub 2}- and ThCr{sub 2}Si{sub 2}-type structural segments. All phases are metallic and non-magnetic. The room temperature thermal conductivity for polycrystalline BaCu{sub 2}As{sub 2} is {approx} 2 W/(m K) and the Seebeck coefficient is {approx} 15 {micro}V/K, which result in a small ({approx}0.03) thermoelectric figure of merit.

• Research Organization: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
• Sponsoring Organization: USDOE Office of Science (SC)
• DOE Contract Number: DE-AC05-00OR22725
• OSTI ID: 1042912
• Journal Information: Journal of Solid State Chemistry, Vol. 191; ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
BARIUM
COPPER
CRYSTAL STRUCTURE
PERFORMANCE
PNICTIDES
SPACE GROUPS
SUPERCONDUCTIVITY
SYNTHESIS
THERMAL CONDUCTIVITY
TRANSPORT
X-RAY DIFFRACTION