KCu7P3: A Two-Dimensional Noncentrosymmetric Metallic Pnictide

Alexander J.E. Rettie; Christos D. Malliakas; Antia S. Botana; Jin Ke Bao; Duck Young Chung; Mercouri G. Kanatzidis

doi:10.1021/acs.inorgchem.9b01336

KCu₇P₃: A Two-Dimensional Noncentrosymmetric Metallic Pnictide

Alexander J.E. Rettie, Christos D. Malliakas, Antia S. Botana, Jin Ke Bao, Duck Young Chung, Mercouri G. Kanatzidis^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

We report a 2D material, KCu₇P₃, with a noncentrosymmetric structure (trigonal space group P31m, a = 6.9637(2) Å, c = 24.1338 (10) Å), which forms both from a molten potassium polyphosphide flux and from the elements. This phase consists of infinite [Cu₇P₃]^- layers with hexagonal P sheets separated by K⁺ ions. The structure of the layers is unique but related to both Cu₃P and the CaCu₄P₂ structure-types. Single-crystal refinement reveals extensive disorder within the Cu₃P-like slabs. KCu₇P₃ is paramagnetic and exhibits a room temperature resistivity of ∼335 μω cm with a metal-like temperature dependence. The metallic character is supported by density functional theory electronic structure calculations. Hall and Seebeck effect measurements yield p-type behavior with a hole mobility of ∼15 cm² V^-1 s^-1 at 300 K and a carrier concentration on the order of 10²¹ cm^-3. KCu₇P₃ is chemically stable in ambient conditions, as well as in aqueous neutral and acidic solutions.

Original language	English (US)
Pages (from-to)	10201-10208
Number of pages	8
Journal	Inorganic chemistry
Volume	58
Issue number	15
DOIs	https://doi.org/10.1021/acs.inorgchem.9b01336
State	Published - Aug 5 2019

Funding

This work was supported by the U.S. Department of Energy, Office of Science, Materials Sciences and Engineering Division. We gratefully acknowledge the computing resources provided on Blues, the high-performance computing clusters operated by the Laboratory Computing Resource Center at Argonne National Laboratory. Use of electron microscopy at the Center for Nanoscale Materials, an Office of Science user facility, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. We gratefully acknowledge Saul Lapidus for performing synchrotron XRD at Sector 11-BM. A.S.B. thanks ASU for startup funds. Single-crystal X-ray work made use of the IMSERC at Northwestern University, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF ECCS-1542205), the State of Illinois, and the International Institute for Nanotechnology (IIN).

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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10.1021/acs.inorgchem.9b01336

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title = "KCu7P3: A Two-Dimensional Noncentrosymmetric Metallic Pnictide",

abstract = "We report a 2D material, KCu7P3, with a noncentrosymmetric structure (trigonal space group P31m, a = 6.9637(2) {\AA}, c = 24.1338 (10) {\AA}), which forms both from a molten potassium polyphosphide flux and from the elements. This phase consists of infinite [Cu7P3]- layers with hexagonal P sheets separated by K+ ions. The structure of the layers is unique but related to both Cu3P and the CaCu4P2 structure-types. Single-crystal refinement reveals extensive disorder within the Cu3P-like slabs. KCu7P3 is paramagnetic and exhibits a room temperature resistivity of ∼335 μω cm with a metal-like temperature dependence. The metallic character is supported by density functional theory electronic structure calculations. Hall and Seebeck effect measurements yield p-type behavior with a hole mobility of ∼15 cm2 V-1 s-1 at 300 K and a carrier concentration on the order of 1021 cm-3. KCu7P3 is chemically stable in ambient conditions, as well as in aqueous neutral and acidic solutions.",

author = "Rettie, {Alexander J.E.} and Malliakas, {Christos D.} and Botana, {Antia S.} and Bao, {Jin Ke} and Chung, {Duck Young} and Kanatzidis, {Mercouri G.}",

note = "Publisher Copyright: {\textcopyright} 2019 American Chemical Society.",

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doi = "10.1021/acs.inorgchem.9b01336",

language = "English (US)",

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AU - Malliakas, Christos D.

AU - Botana, Antia S.

AU - Bao, Jin Ke

AU - Chung, Duck Young

AU - Kanatzidis, Mercouri G.

PY - 2019/8/5

Y1 - 2019/8/5

N2 - We report a 2D material, KCu7P3, with a noncentrosymmetric structure (trigonal space group P31m, a = 6.9637(2) Å, c = 24.1338 (10) Å), which forms both from a molten potassium polyphosphide flux and from the elements. This phase consists of infinite [Cu7P3]- layers with hexagonal P sheets separated by K+ ions. The structure of the layers is unique but related to both Cu3P and the CaCu4P2 structure-types. Single-crystal refinement reveals extensive disorder within the Cu3P-like slabs. KCu7P3 is paramagnetic and exhibits a room temperature resistivity of ∼335 μω cm with a metal-like temperature dependence. The metallic character is supported by density functional theory electronic structure calculations. Hall and Seebeck effect measurements yield p-type behavior with a hole mobility of ∼15 cm2 V-1 s-1 at 300 K and a carrier concentration on the order of 1021 cm-3. KCu7P3 is chemically stable in ambient conditions, as well as in aqueous neutral and acidic solutions.

AB - We report a 2D material, KCu7P3, with a noncentrosymmetric structure (trigonal space group P31m, a = 6.9637(2) Å, c = 24.1338 (10) Å), which forms both from a molten potassium polyphosphide flux and from the elements. This phase consists of infinite [Cu7P3]- layers with hexagonal P sheets separated by K+ ions. The structure of the layers is unique but related to both Cu3P and the CaCu4P2 structure-types. Single-crystal refinement reveals extensive disorder within the Cu3P-like slabs. KCu7P3 is paramagnetic and exhibits a room temperature resistivity of ∼335 μω cm with a metal-like temperature dependence. The metallic character is supported by density functional theory electronic structure calculations. Hall and Seebeck effect measurements yield p-type behavior with a hole mobility of ∼15 cm2 V-1 s-1 at 300 K and a carrier concentration on the order of 1021 cm-3. KCu7P3 is chemically stable in ambient conditions, as well as in aqueous neutral and acidic solutions.

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KCu₇P₃: A Two-Dimensional Noncentrosymmetric Metallic Pnictide

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CSD 1915750: Experimental Crystal Structure Determination

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KCu7P3: A Two-Dimensional Noncentrosymmetric Metallic Pnictide

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CSD 1915750: Experimental Crystal Structure Determination

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KCu₇P₃: A Two-Dimensional Noncentrosymmetric Metallic Pnictide