Properties of single crystalline AZn 2Sb 2 (A Ca,Eu,Yb)

Andrew F. May; Michael A. McGuire; Jie Ma; Olivier Delaire; Ashfia Huq; Radu Custelcean

doi:10.1063/1.3681817

Properties of single crystalline AZn ₂Sb ₂ (A Ca,Eu,Yb)

Andrew F. May, Michael A. McGuire, Jie Ma, Olivier Delaire, Ashfia Huq, Radu Custelcean

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Abstract

Single crystals of CaZn ₂Sb ₂, EuZn ₂Sb ₂, and YbZn ₂Sb ₂ were grown from melts of nominal composition AZn ₅Sb ₅ (A =Ca,Eu,Yb) with the excess melt being removed at 1073 K. The electrical transport properties are consistent with those previously reported for polycrystalline samples. This confirms that the p-type carrier concentrations ranging from 2 10 ¹⁹ cm ^-3 to ∼1 × 10 ²⁰ cm ^-3 are intrinsic to these materials. Also consistent with transport in polycrystalline materials, the carrier mobility is found to be lowest in CaZn ₂Sb ₂, suggesting the trends in mobility and thermoelectric efficiency within these compounds are inherent to the material systems and not due to inhomogeneity or impurities in polycrystalline samples. These results suggest CaZn ₂Sb ₂ has the strongest coupling between the doping/defects and the electronic framework. Magnetization measurements reveal an antiferromagnetic transition near 13 K in EuZn ₂Sb ₂, and the observed magnetic anisotropy indicates the spins align parallel and anti-parallel to c in the trigonal lattice. Powder neutron diffraction on polycrystalline samples of CaZn ₂Sb ₂ and YbZn ₂Sb ₂ reveals smooth lattice expansion to 1000 K, with c expanding faster than a. The Debye temperatures calculated from specific heat capacity data and the isotropic displacement parameters are found to correlate with the carrier mobility, with the CaZn ₂Sb ₂ displaying the largest Debye temperature and smallest mobility.

Original language	English
Article number	033708
Journal	Journal of Applied Physics
Volume	111
Issue number	3
DOIs	https://doi.org/10.1063/1.3681817
State	Published - Feb 1 2012

Funding

This work was supported by the U. S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division (A.F.M., M.A.M.). R.C. was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The research at Oak Ridge National Laboratory’s Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. O.D. and J.M. were supported by the U. S. Department of Energy, Office of Basic Energy Sciences, through the S3TEC Energy Frontier Research Center, Department of Energy DESC0001299.

Funders	Funder number
Office of Basic Energy Sciences
S3TEC Energy Frontier Research Center
Scientific User Facilities Division
U. S. Department of Energy
U.S. Department of Energy	DESC0001299
Oak Ridge National Laboratory
Division of Materials Sciences and Engineering
Chemical Sciences, Geosciences, and Biosciences Division

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title = "Properties of single crystalline AZn 2Sb 2 (A Ca,Eu,Yb)",

abstract = "Single crystals of CaZn 2Sb 2, EuZn 2Sb 2, and YbZn 2Sb 2 were grown from melts of nominal composition AZn 5Sb 5 (A =Ca,Eu,Yb) with the excess melt being removed at 1073 K. The electrical transport properties are consistent with those previously reported for polycrystalline samples. This confirms that the p-type carrier concentrations ranging from 2 10 19 cm -3 to ∼1 × 10 20 cm -3 are intrinsic to these materials. Also consistent with transport in polycrystalline materials, the carrier mobility is found to be lowest in CaZn 2Sb 2, suggesting the trends in mobility and thermoelectric efficiency within these compounds are inherent to the material systems and not due to inhomogeneity or impurities in polycrystalline samples. These results suggest CaZn 2Sb 2 has the strongest coupling between the doping/defects and the electronic framework. Magnetization measurements reveal an antiferromagnetic transition near 13 K in EuZn 2Sb 2, and the observed magnetic anisotropy indicates the spins align parallel and anti-parallel to c in the trigonal lattice. Powder neutron diffraction on polycrystalline samples of CaZn 2Sb 2 and YbZn 2Sb 2 reveals smooth lattice expansion to 1000 K, with c expanding faster than a. The Debye temperatures calculated from specific heat capacity data and the isotropic displacement parameters are found to correlate with the carrier mobility, with the CaZn 2Sb 2 displaying the largest Debye temperature and smallest mobility.",

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AU - May, Andrew F.

AU - McGuire, Michael A.

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AU - Delaire, Olivier

AU - Huq, Ashfia

AU - Custelcean, Radu

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N2 - Single crystals of CaZn 2Sb 2, EuZn 2Sb 2, and YbZn 2Sb 2 were grown from melts of nominal composition AZn 5Sb 5 (A =Ca,Eu,Yb) with the excess melt being removed at 1073 K. The electrical transport properties are consistent with those previously reported for polycrystalline samples. This confirms that the p-type carrier concentrations ranging from 2 10 19 cm -3 to ∼1 × 10 20 cm -3 are intrinsic to these materials. Also consistent with transport in polycrystalline materials, the carrier mobility is found to be lowest in CaZn 2Sb 2, suggesting the trends in mobility and thermoelectric efficiency within these compounds are inherent to the material systems and not due to inhomogeneity or impurities in polycrystalline samples. These results suggest CaZn 2Sb 2 has the strongest coupling between the doping/defects and the electronic framework. Magnetization measurements reveal an antiferromagnetic transition near 13 K in EuZn 2Sb 2, and the observed magnetic anisotropy indicates the spins align parallel and anti-parallel to c in the trigonal lattice. Powder neutron diffraction on polycrystalline samples of CaZn 2Sb 2 and YbZn 2Sb 2 reveals smooth lattice expansion to 1000 K, with c expanding faster than a. The Debye temperatures calculated from specific heat capacity data and the isotropic displacement parameters are found to correlate with the carrier mobility, with the CaZn 2Sb 2 displaying the largest Debye temperature and smallest mobility.

AB - Single crystals of CaZn 2Sb 2, EuZn 2Sb 2, and YbZn 2Sb 2 were grown from melts of nominal composition AZn 5Sb 5 (A =Ca,Eu,Yb) with the excess melt being removed at 1073 K. The electrical transport properties are consistent with those previously reported for polycrystalline samples. This confirms that the p-type carrier concentrations ranging from 2 10 19 cm -3 to ∼1 × 10 20 cm -3 are intrinsic to these materials. Also consistent with transport in polycrystalline materials, the carrier mobility is found to be lowest in CaZn 2Sb 2, suggesting the trends in mobility and thermoelectric efficiency within these compounds are inherent to the material systems and not due to inhomogeneity or impurities in polycrystalline samples. These results suggest CaZn 2Sb 2 has the strongest coupling between the doping/defects and the electronic framework. Magnetization measurements reveal an antiferromagnetic transition near 13 K in EuZn 2Sb 2, and the observed magnetic anisotropy indicates the spins align parallel and anti-parallel to c in the trigonal lattice. Powder neutron diffraction on polycrystalline samples of CaZn 2Sb 2 and YbZn 2Sb 2 reveals smooth lattice expansion to 1000 K, with c expanding faster than a. The Debye temperatures calculated from specific heat capacity data and the isotropic displacement parameters are found to correlate with the carrier mobility, with the CaZn 2Sb 2 displaying the largest Debye temperature and smallest mobility.

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Properties of single crystalline AZn ₂Sb ₂ (A Ca,Eu,Yb)

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