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Structural and physical properties of the new layered transition metal material Na4Cu3TaAs4

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  • ReceivedDec 25, 2019
  • AcceptedJan 9, 2020
  • PublishedFeb 28, 2020

Abstract


Funding

the National Natural Science Foundation of China(11888101,11534010)

the Anhui Initiative in Quantum Information Technologies(AHY160000)

the Strategic Priority Research Program of Chinese Academy of Sciences(XDB25000000)

the National Key Research and Development Program of the Ministry of Science and Technology of China(2016YFA0300201,2017YFA0303001)

and the Key Research Program of Frontier Sciences

CAS

China(QYZDYSSW-SLH021)


Acknowledgment

This work was supported by the National Natural Science Foundation of China (11888101 and 11534010), Anhui Initiative in Quantum Information Technologies (AHY160000), the Strategic Priority Research Program of Chinese Academy of Sciences (XDB25000000), the National Key Research and Development Program of the Ministry of Science and Technology of China (2016YFA0300201 and 2017YFA0303001), and the Key Research Program of Frontier Sciences, CAS, China (QYZDYSSW-SLH021).


Interest statement

The authors declare that they have no conflict of interest.


Contributions statement

Chen X conceived and coordinated the project, and was responsible for the infrastructure and project direction. Meng F synthesized the samples. Meng F, Shi M, Cui S and Wang N performed the experiments. Peng K performed the theoretical calculation; Chen X, Meng F, Shi M, Ying J and Sun Z analyzed the data. Chen X, Meng F and Ying J wrote the manuscript. All authors contributed to the general discussion.


Author information

Fanbao Meng obtained his Bachelor degree in physics from Zhengzhou Universtiy. He is currently a PhD candidate in the University of Science and Technology of China (USTC) under the supervision of Prof. Xianhui Chen. His current research interest focuses on the exploration and characterization of layered functional material.


Xianhui Chen obtained his PhD degree in physics from USTC in 1992. In the same year, he began his research career in USTC and now holds the position of Professor in physics. His research focuses on the exploration and study of the physics of novel functional materials exhibiting superconductivity, novel magnetism, novel quantum properties, thermoelectricity, etc.


Supplementary data

Supplementary information

The supporting data are available in the online version of the paper. Accession codes: CCDC 1966119 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge via www.ccdc.cam.ac.uk/data_request/cif, or by emailing data_request@ccdc.cam.ac.uk, or by contacting The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK; fax: +441223 336033.


References

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  • Figure 1

    The XRD patterns taken from Na4Cu3TaAs4 single crystal and polycrystalline samples. (a) The single crystal XRD pattern shows a series of (001) diffractions. The inset shows the photograph of the single crystal. (b) The powder XRD pattern. Excrescent peaks compared to NaFeAs are marked with blue asterisks.

  • Figure 2

    The structure of Na4Cu3TaAs4 and “parent” NaCuAs. (a, b) Schematic illustration of the crystal structure of the Na4Cu3TaAs4 and “NaCuAs”. (c, d) (Cu/Ta)As nets of the Na4Cu3TaAs4 and CuAs nets of the “NaCuAs” in the ab plane. (e, f) Structures of the Na4Cu3TaAs4 and the “NaCuAs” along the c direction.

  • Figure 3

    The XPS spectrum for Na4Cu3TaAs4. (a) The region of Cu 2p1/2 and Cu 2p3/2, compared with CuO and SrCu2As2 single crystals. (b) The region of Ta 4f5/2 and Ta 4f7/2. (c) The region of As 3d.

  • Figure 4

    The electronic structure of Na4Cu3TaAs4. (a) Valence-band ARPES intensity of Na4Cu3TaAs4 measured along the Γ-M-A cut at room temperature. (b) Calculated band structure obtained from the first-principles band-structure calculations for Na4Cu3TaAs4.

  • Figure 5

    Resistivity and magnetic susceptibility of single crystal Na4Cu3TaAs4. (a) The temperature dependence of in-plane resistivity for the single crystal. The solid red curve is a fit of the resistivity in the temperature range 5–100 K. Inset: the temperature dependence of Hall coefficient (RH) and carriers concentration (n) at 2–300 K. (b) The temperature dependence of ZFC magnetic susceptibility for the single crystal at a magnetic field of 5 T applied along the c axis (χc, H//c) and in the ab plane (χab, H//ab).

  • Table 1   Crystallographic data for NaCuTaAs

    Parameters

    Values

    Chemical formula

    Na4Cu3TaAs4

    Formula weight (g mol−1)

    763.21

    Temperature (K)

    293(2) K

    Wavelength (Å)

    0.71073

    Crystal system

    Tetragonal

    Space group

    I4¯2m(121)

    a (Å)

    5.9101(3)

    b (Å)

    5.9101(3)

    c (Å)

    13.8867(12)

    α (°)

    90

    β (°)

    90

    γ (°)

    90

    V3)

    485.05(6)

    Z

    2

    Density (g cm−3)

    5.226

    Abs coeff (mm−1)

    31.371

    F(000)

    672

    GOF on F2

    1.114

    R1 and wR2 (all data)a

    0.0587, 0.1396

    R1 and wR2 (I>2σ(I))a

    0.0571, 0.1384

  • Table 2   Atomic coordinates and equivalent displacement parameters for NaCuTaAs

    Atom

    Wyckoff

    x

    y

    z

    Occup

    Ueq2)

    Na1

    8i

    0.7329(16)

    0.7329(16)

    0.8259(9)

    1

    0.023(3)

    Cu1

    4c

    0.5

    1

    0.5

    1

    0.017(2)

    Cu2

    2b

    1

    1

    0.5

    1

    0.045(2)

    Ta1

    2a

    0.5

    0.5

    0.5

    1

    0.01(1)

    As1

    8i

    0.7381(4)

    0.7381(4)

    0.6069(2)

    1

    0.014(1)

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