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

Abstract

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.

Authors:
ORCiD logo [1]; ORCiD logo [2];  [3]; ORCiD logo [1];  [1]; ORCiD logo [4]
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  1. Argonne National Lab. (ANL), Lemont, IL (United States)
  2. Northwestern Univ., Evanston, IL (United States)
  3. Arizona State Univ., Tempe, AZ (United States)
  4. Argonne National Lab. (ANL), Lemont, IL (United States); Northwestern Univ., Evanston, IL (United States)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
OSTI Identifier:
1557245
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Inorganic Chemistry
Additional Journal Information:
Journal Volume: 58; Journal Issue: 15; Journal ID: ISSN 0020-1669
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Rettie, Alexander J. E., Malliakas, Christos D., Botana, Antia S., Bao, Jin-Ke, Chung, Duck Young, and Kanatzidis, Mercouri G. KCu 7 P 3 : A Two-Dimensional Noncentrosymmetric Metallic Pnictide. United States: N. p., 2019. Web. doi:10.1021/acs.inorgchem.9b01336.
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Rettie, Alexander J. E., Malliakas, Christos D., Botana, Antia S., Bao, Jin-Ke, Chung, Duck Young, & Kanatzidis, Mercouri G. KCu 7 P 3 : A Two-Dimensional Noncentrosymmetric Metallic Pnictide. United States. https://doi.org/10.1021/acs.inorgchem.9b01336
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Rettie, Alexander J. E., Malliakas, Christos D., Botana, Antia S., Bao, Jin-Ke, Chung, Duck Young, and Kanatzidis, Mercouri G. Mon . "KCu 7 P 3 : A Two-Dimensional Noncentrosymmetric Metallic Pnictide". United States. https://doi.org/10.1021/acs.inorgchem.9b01336. https://www.osti.gov/servlets/purl/1557245.
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@article{osti_1557245,
title = {KCu 7 P 3 : A Two-Dimensional Noncentrosymmetric Metallic Pnictide},
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.},
abstractNote = {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.},
doi = {10.1021/acs.inorgchem.9b01336},
journal = {Inorganic Chemistry},
number = 15,
volume = 58,
place = {United States},
year = {Mon Jul 15 00:00:00 EDT 2019},
month = {Mon Jul 15 00:00:00 EDT 2019}
}
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Journal Article:
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Publisher's Version of Record
https://doi.org/10.1021/acs.inorgchem.9b01336
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Figures / Tables:

Figure 1 Figure 1: a) SEM image of a KCu7P3 crystal illustrating a plate-like morphology. b) Rietveld refinement of KCu7P3 powder synthesized from the elements and washed with ethanol and water. High-resolution synchrotron XRD data were collected at 298 K. Vertical lines indicate the positions of reflections. Inset: photograph of dark greymore » KCu7P3 powder in a 27.5 mm diameter glass vial.« less
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