AUTHOR=Hussein Zain , Kazemiasl Nazanin , Hussaini Kenan , Vaquero Lia , Barkova Olga , Drozd Vadym , Chariton Stella , Prakapenka Vitali , Chuvashova Irina 

TITLE=High-pressure high-temperature synthesis of NdRe2

JOURNAL=Frontiers in Chemistry

VOLUME=12

YEAR=2024

URL=https://www.frontiersin.org/journals/chemistry/articles/10.3389/fchem.2024.1259032

DOI=10.3389/fchem.2024.1259032

ISSN=2296-2646

ABSTRACT=<p>In this study, we report the synthesis of a new cubic neodymium-rhenium metallic alloy NdRe<sub>2</sub> through the utilization of high pressure and laser heating in a diamond anvil cell. NdRe<sub>2</sub> crystallizes in the <inline-formula id="inf1"><mml:math id="m1" xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>F</mml:mi><mml:mi>d</mml:mi><mml:mover accent="true"><mml:mn>3</mml:mn><mml:mo>¯</mml:mo></mml:mover><mml:mi>m</mml:mi></mml:mrow></mml:math></inline-formula> 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 MgCu<sub>2</sub> structure type. Its successful synthesis further proves that high-pressure high-temperature conditions can be used to obtain alloys holding a Laves phase structure. <italic>Ab initio</italic> 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.</p>