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

Research output: Contribution to journalArticle

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 languageEnglish
Pages (from-to)10201-10208
Number of pages8
JournalInorganic Chemistry
Volume58
Issue number15
DOIs
Publication statusPublished - Aug 5 2019

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Group 5A compounds
Seebeck effect
Hole mobility
Hall effect
hole mobility
Electronic structure
Density functional theory
Carrier concentration
Molten materials
potassium
Potassium
slabs
Metals
Single crystals
disorders
Ions
Fluxes
density functional theory
electronic structure
Temperature

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

Cite this

Rettie, A. J. E., Malliakas, C. D., Botana, A. S., Bao, J. K., Chung, D. Y., & Kanatzidis, M. G. (2019). KCu7P3: A Two-Dimensional Noncentrosymmetric Metallic Pnictide. Inorganic Chemistry, 58(15), 10201-10208. https://doi.org/10.1021/acs.inorgchem.9b01336

KCu7P3 : 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.

In: Inorganic Chemistry, Vol. 58, No. 15, 05.08.2019, p. 10201-10208.

Research output: Contribution to journalArticle

Rettie, AJE, Malliakas, CD, Botana, AS, Bao, JK, Chung, DY & Kanatzidis, MG 2019, 'KCu7P3: A Two-Dimensional Noncentrosymmetric Metallic Pnictide', Inorganic Chemistry, vol. 58, no. 15, pp. 10201-10208. https://doi.org/10.1021/acs.inorgchem.9b01336
Rettie, Alexander J.E. ; Malliakas, Christos D. ; Botana, Antia S. ; Bao, Jin Ke ; Chung, Duck Young ; Kanatzidis, Mercouri G. / KCu7P3 : A Two-Dimensional Noncentrosymmetric Metallic Pnictide. In: Inorganic Chemistry. 2019 ; Vol. 58, No. 15. pp. 10201-10208.
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