Filling the holes in the structure: Synthesis and magnetism of
Abstract
Here, we investigate single crystals of CaCo5 As3 by means of single-crystal x-ray diffraction, microprobe, magnetic susceptibility, heat capacity, and pressure-dependent transport measurements. CaCo5 As3 shares the same structure of CaFe4 As3 with an additional Co atom filling a lattice vacancy and undergoes a magnetic transition at TM = 16 K associated with a frustrated magnetic order. CaCo5 As3 displays metallic behavior and its Sommerfeld coefficient (γ = 70 mJ/mol K2) indicates a moderate enhancement of electron-electron correlations. Transport data under pressures to 2.5 GPa reveal a suppression of TM at a rate of - 0.008 K/GPa. First-principles electronic structure calculations show a complex three-dimensional band structure and magnetic moments that depend on the local environment at each Co site. Our results are compared with previous data on CaFe4 As3 and provide a scenario for a magnetically frustrated ground state in this family of compounds.
- Authors:
-
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Publication Date:
- Research Org.:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1481129
- Alternate Identifier(s):
- OSTI ID: 1372941
- Report Number(s):
- LA-UR-17-30511
Journal ID: ISSN 2475-9953; PRMHAR
- Grant/Contract Number:
- AC52-06NA25396
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Materials
- Additional Journal Information:
- Journal Volume: 1; Journal Issue: 2; Journal ID: ISSN 2475-9953
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Material Science
Citation Formats
Ferrari Silveira Rosa, Priscila, Scott, Brian Lindley, Ronning, Filip, Bauer, Eric Dietzgen, and Thompson, Joe David. Filling the holes in the CaFe4As3 structure: Synthesis and magnetism of CaCo5As3. United States: N. p., 2017.
Web. doi:10.1103/PhysRevMaterials.1.024409.
Ferrari Silveira Rosa, Priscila, Scott, Brian Lindley, Ronning, Filip, Bauer, Eric Dietzgen, & Thompson, Joe David. Filling the holes in the CaFe4As3 structure: Synthesis and magnetism of CaCo5As3. United States. https://doi.org/10.1103/PhysRevMaterials.1.024409
Ferrari Silveira Rosa, Priscila, Scott, Brian Lindley, Ronning, Filip, Bauer, Eric Dietzgen, and Thompson, Joe David. Wed .
"Filling the holes in the CaFe4As3 structure: Synthesis and magnetism of CaCo5As3". United States. https://doi.org/10.1103/PhysRevMaterials.1.024409. https://www.osti.gov/servlets/purl/1481129.
@article{osti_1481129,
title = {Filling the holes in the CaFe4As3 structure: Synthesis and magnetism of CaCo5As3},
author = {Ferrari Silveira Rosa, Priscila and Scott, Brian Lindley and Ronning, Filip and Bauer, Eric Dietzgen and Thompson, Joe David},
abstractNote = {Here, we investigate single crystals of CaCo5 As3 by means of single-crystal x-ray diffraction, microprobe, magnetic susceptibility, heat capacity, and pressure-dependent transport measurements. CaCo5 As3 shares the same structure of CaFe4 As3 with an additional Co atom filling a lattice vacancy and undergoes a magnetic transition at TM = 16 K associated with a frustrated magnetic order. CaCo5 As3 displays metallic behavior and its Sommerfeld coefficient (γ = 70 mJ/mol K2) indicates a moderate enhancement of electron-electron correlations. Transport data under pressures to 2.5 GPa reveal a suppression of TM at a rate of - 0.008 K/GPa. First-principles electronic structure calculations show a complex three-dimensional band structure and magnetic moments that depend on the local environment at each Co site. Our results are compared with previous data on CaFe4 As3 and provide a scenario for a magnetically frustrated ground state in this family of compounds.},
doi = {10.1103/PhysRevMaterials.1.024409},
journal = {Physical Review Materials},
number = 2,
volume = 1,
place = {United States},
year = {Wed Jul 26 00:00:00 EDT 2017},
month = {Wed Jul 26 00:00:00 EDT 2017}
}
Web of Science
Figures / Tables:
Works referenced in this record:
Pressure and chemical substitution effects in the local atomic structure of BaFe As
journal, May 2011
- Granado, E.; Mendonça-Ferreira, L.; Garcia, F.
- Physical Review B, Vol. 83, Issue 18
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Superconductivity at 38 K in the Iron Arsenide
journal, September 2008
- Rotter, Marianne; Tegel, Marcus; Johrendt, Dirk
- Physical Review Letters, Vol. 101, Issue 10
Incommensurate Magnetism in FeAs Strips: Neutron Scattering from
journal, January 2011
- Nambu, Yusuke; Zhao, Liang L.; Morosan, Emilia
- Physical Review Letters, Vol. 106, Issue 3
Similarities between structural distortions under pressure and chemical doping in superconducting BaFe2As2
journal, May 2009
- Kimber, Simon A. J.; Kreyssig, Andreas; Zhang, Yu-Zhong
- Nature Materials, Vol. 8, Issue 6
Magnetic transition, long-range order, and moment fluctuations in the pyrochlore iridate Eu Ir O
journal, May 2011
- Zhao, Songrui; Mackie, J. M.; MacLaughlin, D. E.
- Physical Review B, Vol. 83, Issue 18
Magnetic pyrochlore oxides
journal, January 2010
- Gardner, Jason S.; Gingras, Michel J. P.; Greedan, John E.
- Reviews of Modern Physics, Vol. 82, Issue 1
Spin Disorder on a Triangular Lattice
journal, September 2005
- Nakatsuji, S.
- Science, Vol. 309, Issue 5741
Chalcogen-Height Dependent Magnetic Interactions and Magnetic Order Switching in
journal, February 2010
- Moon, Chang-Youn; Choi, Hyoung Joon
- Physical Review Letters, Vol. 104, Issue 5
Effects of chemical doping and pressure on CaFe As
journal, September 2011
- Zhao, Liang L.; Kim, S. K.; McCandless, Gregory T.
- Physical Review B, Vol. 84, Issue 10
Strong Correlations and Magnetic Frustration in the High Iron Pnictides
journal, August 2008
- Si, Qimiao; Abrahams, Elihu
- Physical Review Letters, Vol. 101, Issue 7
Field dependence of magnetic ordering in Kagomé-staircase compound
journal, July 2006
- Kenzelmann, M.; Harris, A. B.; Aharony, A.
- Physical Review B, Vol. 74, Issue 1
Observation of Weyl nodes in TaAs
journal, August 2015
- Lv, B. Q.; Xu, N.; Weng, H. M.
- Nature Physics, Vol. 11, Issue 9
Magnetic Inversion Symmetry Breaking and Ferroelectricity in
journal, August 2005
- Kenzelmann, M.; Harris, A. B.; Jonas, S.
- Physical Review Letters, Vol. 95, Issue 8
Weyl semimetal phase in the non-centrosymmetric compound TaAs
journal, August 2015
- Yang, L. X.; Liu, Z. K.; Sun, Y.
- Nature Physics, Vol. 11, Issue 9
Hall effect anomaly and low-temperature metamagnetism in the Kondo compound
journal, February 2016
- Thomas, S. M.; Rosa, P. F. S.; Lee, S. B.
- Physical Review B, Vol. 93, Issue 7
CaFe 4 As 3 : A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties
journal, April 2009
- Todorov, Iliya; Chung, Duck Young; Malliakas, Christos D.
- Journal of the American Chemical Society, Vol. 131, Issue 15
Tunable ( , )-Type Antiferromagnetic Order in -Fe(Te,Se) Superconductors
journal, June 2009
- Bao, Wei; Qiu, Y.; Huang, Q.
- Physical Review Letters, Vol. 102, Issue 24
Kinetic frustration and the nature of the magnetic and paramagnetic states in iron pnictides and iron chalcogenides
journal, September 2011
- Yin, Z. P.; Haule, K.; Kotliar, G.
- Nature Materials, Vol. 10, Issue 12
Iron-Based Layered Superconductor La[O 1- x F x ]FeAs ( x = 0.05−0.12) with T c = 26 K
journal, March 2008
- Kamihara, Yoichi; Watanabe, Takumi; Hirano, Masahiro
- Journal of the American Chemical Society, Vol. 130, Issue 11
Fermi-liquid state and enhanced electron correlations in the iron pnictide
journal, July 2009
- Zhao, Liang L.; Yi, Tanghong; Fettinger, James C.
- Physical Review B, Vol. 80, Issue 2
Framework Structures of Interconnected Layers in Calcium Iron Arsenides
journal, May 2014
- Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin
- Inorganic Chemistry, Vol. 53, Issue 12
Discovery of a Weyl fermion semimetal and topological Fermi arcs
journal, July 2015
- Xu, S. -Y.; Belopolski, I.; Alidoust, N.
- Science, Vol. 349, Issue 6248
Figures / Tables found in this record: