Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

BaCu T P 2 ( T = Al, Ga, In): a semiconducting black sheep in the ThCr 2 Si 2 intermetallic family

Journal Article · · Journal of Materials Chemistry. A
DOI:https://doi.org/10.1039/D4TA01063A· OSTI ID:2333041
 [1];  [2];  [1];  [1];  [2];  [3];  [1];  [1]
  1. Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA, Ames National Laboratory, U.S. Department of Energy, Ames, Iowa 50011, USA
  2. Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA
  3. Department of Chemistry and Biochemistry, Wichita State University, Wichita, Kansas 67260, USA

Semiconducting pnictides with a ThCr 2 Si 2 type structure were realized via mixing Cu and group 13 elements (Al, Ga, and In) in the metal site.

Research Organization:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Organization:
USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)
Grant/Contract Number:
AC02-07CH11358; SC0023509
OSTI ID:
2333041
Alternate ID(s):
OSTI ID: 2337447
Report Number(s):
IS-J--11,310
Journal Information:
Journal of Materials Chemistry. A, Journal Name: Journal of Materials Chemistry. A Journal Issue: 17 Vol. 12; ISSN JMCAET; ISSN 2050-7488
Publisher:
Royal Society of Chemistry (RSC)Copyright Statement
Country of Publication:
United Kingdom
Language:
English

References (63)

Thermoelectric Materials book June 2017
Unravelling the Mystery of Solid Solutions: A Case Study of 89Y Solid‐State NMR Spectroscopy journal April 2020
Iron‐Based Superconductors with Extended FeX4 (X = As and Se) Tetrahedra journal August 2011
Towards perfect NMR: Spin-echo versus perfect-echo building blocks journal August 2018
Tern�re BaAl4-Varianten. Darstellung und Struktur von CaCu2As2, Ca2Cu6P5 und Ba2Cu3P4 journal February 1990
Neue tern�re Kupferpnictide mit modifizierten BaAl4-Strukturen journal September 1995
Thermoelectric Properties of Light-Element-Containing Zintl Compounds CaZn2−x Cu x P2 and CaMnZn1−x Cu x P2 (x = 0.0–0.2) journal November 2013
A perfect spin echo in a weakly homonuclear J-coupled two spin- system journal October 1989
Structural investigations of ternary lanthanoid and uranium nickel phosphides journal February 1984
New ytterbium compounds with the BaAl4 type of structure: crystal chemistry and magnetic properties of Yb(Cu,Ag,Au,Pd,Pt)xGa4 - x journal May 1993
Thermoelectric materials book March 2023
The Smaller the Better: Hosting Trivalent Rare-Earth Guests in Cu–P Clathrate Cages journal June 2018
Synthesis and thermoelectric properties of BaMn2Sb2 single crystals journal May 2009
Heat capacity studies on rattling vibrations in Ba–TM–Ge type I clathrates journal December 2012
Nickel deficiency in RENi2–xP2 (RE=La, Ce, Pr). Combined crystallographic and physical property studies journal June 2009
ThCr2Si2 structure type: The “perovskite” of intermetallics journal April 2019
Clathrate thermoelectrics journal October 2016
Unveiling the origins of low lattice thermal conductivity in 122-phase Zintl compounds journal November 2021
New ternary ThCr2Si2-type iron–selenide superconducting materials: Synthesis, properties and simulations journal July 2011
Correlating Itinerant Magnetism in RCo 2 Pn 2 Pnictides (R = La, Ce, Pr, Nd, Eu, Ca; Pn = P, As) to Their Crystal and Electronic Structures journal January 2018
Clathrate BaNi2P4: An Interplay of Heat and Charge Transport Due to Strong Host–Guest Interactions journal August 2020
Superconductor-in-an-Hour: Spark Plasma Synthesis of Co- and Ni-Doped BaFe 2 As 2 journal November 2018
Two Polymorphs of BaZn 2 P 2 : Crystal Structures, Phase Transition, and Transport Properties journal September 2021
Thermoelectric Properties of As-Based Zintl Compounds Ba 1– x K x Zn 2 As 2 journal March 2017
Thermoelectric Properties of (Ba,K)Zn 2 As 2 Crystallized in the ThCr 2 Si 2 -type Structure journal April 2020
Average and Local Structure, Debye Temperature, and Structural Rigidity in Some Oxide Compounds Related to Phosphor Hosts journal March 2015
Spin-Glass Behavior in LaFe x Co 2– x P 2 Solid Solutions: Interplay Between Magnetic Properties and Crystal and Electronic Structures journal October 2011
Introducing a Magnetic Guest to a Tetrel-Free Clathrate: Synthesis, Structure, and Properties of Eu x Ba 8– x Cu 16 P 30 (0 ≤ x ≤ 1.5) journal October 2011
Making and Breaking Bonds in the Solid State: The ThCr 2 Si 2 Structure journal September 1985
The s p Bonded Representatives of the Prominent BaAl 4 Structure Type:  A Case Study on Structural Stability of Polar Intermetallic Network Structures journal April 2002
High-Resolution NMR Correlation Spectra of Disordered Solids journal April 2003
Solid-State NMR of a Paramagnetic DIAD-Fe II Catalyst:  Sensitivity, Resolution Enhancement, and Structure-Based Assignments journal October 2006
Narrow Bandgap in β-BaZn 2 As 2 and Its Chemical Origins journal October 2014
Determination of Through-Bond Carbon−Carbon Connectivities in Solid-State NMR Using the INADEQUATE Experiment journal August 1997
New Trick for an Old Dog: From Prediction to Properties of “Hidden Clathrates” Ba2Zn5As6 and Ba2Zn5Sb6 journal February 2023
Disorder and Oxide Ion Diffusion Mechanism in La1.54Sr0.46Ga3O7.27 Melilite from Nuclear Magnetic Resonance journal October 2023
Unraveling Sodium-Ion Dynamics in Honeycomb-Layered Na2MgxZn2–xTeO6 Solid Electrolytes with Solid-State NMR journal August 2023
Characterizing Oxygen Local Environments in Paramagnetic Battery Materials via 17 O NMR and DFT Calculations journal July 2016
Covalent radii revisited journal January 2008
Crystal chemistry and thermoelectric transport of layered AM 2 X 2 compounds journal January 2018
Thermoelectric properties of (Ba,K)Cd 2 As 2 crystallized in the CaAl 2 Si 2 -type structure journal January 2018
Experimental validation of high thermoelectric performance in RECuZnP 2 predicted by high-throughput DFT calculations journal January 2021
Semiconducting silicon–phosphorus frameworks for caging exotic polycations journal January 2022
Librational heat capacity of fullerenes in the Einstein model journal December 2003
Band gap estimation from temperature dependent Seebeck measurement—Deviations from the 2e|S|maxTmax relation journal January 2015
Synthesis, structure, and transport properties of Ba 8 Cu 16 –  x Au x P 30 clathrate solid solution journal February 2020
Evolution of structure and transport properties of the Ba8Cu16P30 clathrate-I framework with the introduction of Ga journal May 2022
High Seebeck coefficient AMX P 2 ( A = Ca and Yb; M , X = Zn, Cu and Mn) Zintl phosphides as high-temperature thermoelectric materials journal March 2011
Interaction of superconductivity and magnetism in borocarbide superconductors journal July 2001
Synthesis and properties of CaFe 2 As 2 single crystals journal July 2008
The first order phase transition and superconductivity in BaNi 2 As 2 single crystals journal August 2008
Effect of 3d doping on the electronic structure of BaFe 2 As 2 journal April 2012
Quantitative study of atomic ordering inGa0.5In0.5P thin films byP31nuclear magnetic resonance journal June 1992
Cage-size control of guest vibration and thermal conductivity in Sr 8 Ga 16 Si 30 − x Ge x journal May 2007
Effects of Co substitution on thermodynamic and transport properties and anisotropic H c 2 in Ba ( Fe 1 − x Co x ) 2 As 2 single crystals journal December 2008
Magnetic, transport, and thermal properties of single crystals of the layered arsenide BaMn 2 As 2 journal March 2009
Origin of low thermal conductivity in SnSe journal September 2016
Superconductivity at 22 K in Co-Doped BaFe 2 As 2 Crystals journal September 2008
The crystal structure of ternary silicides ThM 2 Si 2 (M = Cr, Mn, Fe, Co, Ni and Cu) journal April 1965
Universal Relation between Guest Free Space and Lattice Thermal Conductivity Reduction by Anharmonic Rattling in Type-I Clathrates journal January 2008
FeAs-Based Superconductivity: A Case Study of the Effects of Transition Metal Doping on BaFe 2 As 2 journal August 2010
CaZn2Al2, der erste Vertreter einer „inversen“ ThCr2Si2-Struktur / CaZn2Al2, the First Example of an „Inverse“ ThCr2Si2-Structure journal December 1984
Energy Dispersive X-ray Analysis in the Electron Microscope reference-book July 2003

Similar Records

BaCu4/3Si2/3P2 and BaCu2–(x+y)ZnxSiyP2: Expanding the Semiconducting Landscape in the ThCr2Si2-Type Family
Journal Article · Wed Jul 09 20:00:00 EDT 2025 · Inorganic Chemistry · OSTI ID:2998107

Metallic properties of Ba{sub 2}Cu{sub 3}P{sub 4} and BaCu{sub 2}Pn{sub 2} (Pn=As, Sb)
Journal Article · Sun Jul 15 00:00:00 EDT 2012 · Journal of Solid State Chemistry · OSTI ID:22012194