KCu 7 P 3 : A Two-Dimensional Noncentrosymmetric Metallic Pnictide

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

doi:10.1021/acs.inorgchem.9b01336

Title: KCu ₇ P ₃ : A Two-Dimensional Noncentrosymmetric Metallic Pnictide

Journal Article · 15 July 2019 · Inorganic Chemistry

DOI: https://doi.org/10.1021/acs.inorgchem.9b01336 · OSTI ID:1557245

^[1];

^[2]; Botana, Antia S. ^[3];

^[1]; Chung, Duck Young ^[1];

^[4]

Argonne National Lab. (ANL), Lemont, IL (United States)
Northwestern Univ., Evanston, IL (United States)
Arizona State Univ., Tempe, AZ (United States)
Argonne National Lab. (ANL), Lemont, IL (United States); Northwestern Univ., Evanston, IL (United States)

We introduce 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 [KCu₇P₃]– layers with hexagonal P sheets separated by K+ ions. The structure of the layers is unique yet 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 backed 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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Research Organization:: Argonne National Lab. (ANL), Lemont, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1557245

Journal Information:: Inorganic Chemistry, Journal Name: Inorganic Chemistry Journal Issue: 15 Vol. 58; ISSN 0020-1669

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: KCu ₇ P ₃ : A Two-Dimensional Noncentrosymmetric Metallic Pnictide