TY - JOUR
T1 - KCu7P3
T2 - A Two-Dimensional Noncentrosymmetric Metallic Pnictide
AU - Rettie, Alexander J.E.
AU - Malliakas, Christos D.
AU - Botana, Antia S.
AU - Bao, Jin Ke
AU - Chung, Duck Young
AU - Kanatzidis, Mercouri G.
N1 - Funding Information:
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).
Publisher Copyright:
© 2019 American Chemical Society.
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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U2 - 10.1021/acs.inorgchem.9b01336
DO - 10.1021/acs.inorgchem.9b01336
M3 - Article
C2 - 31306005
AN - SCOPUS:85070924076
VL - 58
SP - 10201
EP - 10208
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 15
ER -