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Title: High-pressure high-temperature synthesis of NdRe2

Journal Article · · Frontiers in Chemistry

In this study, we report the synthesis of a new cubic neodymium-rhenium metallic alloy NdRe2 through the utilization of high pressure and laser heating in a diamond anvil cell. NdRe2 crystallizes in the Fd$$\overline{3}$$m space group with a lattice parameter equal to 7.486 (2) Å and Z = 8 at 24 (1) GPa and 2,200 (100) K. It was studied using high-pressure single-crystal X-ray diffraction. The compound crystallizes in the cubic MgCu2 structure type. Its successful synthesis further proves that high-pressure high-temperature conditions can be used to obtain alloys holding a Laves phase structure. Ab initio calculations were done to predict the mechanical properties of the material. We also discuss the usage of extreme conditions to synthesize and study materials present in the nuclear waste.

Research Organization:
Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF); U.S. Nuclear Regulatory Commission; National Science Foundation (NSF)
Grant/Contract Number:
AC02-06CH11357
OSTI ID:
2470210
Journal Information:
Frontiers in Chemistry, Journal Name: Frontiers in Chemistry Vol. 12; ISSN 2296-2646
Publisher:
Frontiers Research FoundationCopyright Statement
Country of Publication:
United States
Language:
English

References (44)

GeoSoilEnviroCARS (Sector 13) at the Advanced Photon Source: a comprehensive synchrotron radiation facility for Earth science research at ambient and extreme conditions journal July 2022
Laves phases: a review of their functional and structural applications and an improved fundamental understanding of stability and properties journal December 2020
Laves phases of actinide elements journal September 1972
Intermediate phases in binary systems of technetium-99 with several transition elements journal December 1962
Technetium compounds with the MgZn2 structure journal February 1964
Some intermediate phases in the thorium-technetium and uranium-technetium systems journal December 1965
Superconductivity and lattice parameters of the dirhenides and ditechnides of thorium, hafnium and zirconium journal October 1970
Superconductivity of the Laves phases YTc2, ScTc2 and LuTc2 journal October 1981
On the structure of Nd2Fe14B journal November 1984
Synthesis of lanthanide-iron laves phases at high pressures and temperatures journal January 1972
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
Influence of neodymium addition on microstructure, tensile properties and fracture behavior of cast Al-Mg2Si metal matrix composite journal March 2013
VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code journal October 2021
The new high-pressure hexagonal Laves phase of the YbZn2 compound journal June 2023
First-principles study of structural stability and elastic properties of MgPd3 and its hydride journal June 2014
Structure studies on lanthanide technetium pyrochlores as prospective host phases to immobilize 99technetium and fission lanthanides from effluents of reprocessed used nuclear fuels journal April 2011
Crystalline compounds for remediation of rare-earth fission products: A review journal March 2022
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature journal October 2015
Effect of neodymium doping on structure, electrical and optical properties of nanocrystalline ZnO journal August 2012
Structural, elastic, electronic and magnetic properties of perovskite-like Co3WC, Rh3WC and Ir3WC from first principles calculations journal May 2010
Review of Rare-Earth Phosphate Materials for Nuclear Waste Sequestration Applications journal October 2022
Chemistry of Technetium and Rhenium Species during Low-Level Radioactive Waste Vitrification journal January 1996
Simple Chemical Rules for Predicting Band Structures of Kagome Materials journal June 2022
Charting the complete elastic properties of inorganic crystalline compounds journal March 2015
BX90: A new diamond anvil cell design for X-ray diffraction and optical measurements journal December 2012
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation journal July 2013
Toward an internally consistent pressure scale journal May 2007
Pressure Induced Disordering of Vacancies in RNi 2 Compounds journal January 2002
The COMPRES/GSECARS gas-loading system for diamond anvil cells at the Advanced Photon Source journal September 2008
Temperature- and pressure-induced structural transitions in rare-earth-deficient (R = Y, Sm, Gd, Tb) Laves phases journal October 1996
Magnetic Properties of Neodymium Single Crystals journal May 1957
Special points for Brillouin-zone integrations journal June 1976
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Compression curves of transition metals in the Mbar range: Experiments and projector augmented-wave calculations journal September 2008
Generalized Gradient Approximation Made Simple journal October 1996
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data journal October 2011
Domain Auto Finder (DAFi) program: the analysis of single-crystal X-ray diffraction data from polycrystalline samples journal September 2022
Crystal structure refinement with SHELXL journal January 2015
SHELXT – Integrated space-group and crystal-structure determination journal January 2015
XSEDE: Accelerating Scientific Discovery journal September 2014
Synthesis and Luminescence Properties of Neodymium-Doped Oxochloride Lead Silicate Glasses journal March 2023
Theoretical predictions of structure and related properties of intermetallics journal April 1992
Crystallographic Computing System JANA2006: General features journal January 2014
Special Issue: Materials for Nuclear Waste Immobilization journal November 2019