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A thorough analysis of the binary rare-earth intermetallic compound’s structural and electrical characteristics has been carried out using first-principles computations. Under ambient circumstances, it is discovered that the compound is stable in the CsCl-type B2 crystal structure. Many properties of the ground state have been evaluated, such as the lattice constant, the bulk modulus, and pressure derivative of bulk modulus. PACS No: 62.20.de, 62.20.dq, 62.50.-p, 64.00.00.

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Computational Study of Rare Earth Intermetallic

  • 会议论文

  • 发表日期：

    2026年

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  • Purvee Bhardwaj

摘要

A thorough analysis of the binary rare-earth intermetallic compound’s structural and electrical characteristics has been carried out using first-principles computations. Under ambient circumstances, it is discovered that the compound is stable in the CsCl-type B2 crystal structure. Many properties of the ground state have been evaluated, such as the lattice constant, the bulk modulus, and pressure derivative of bulk modulus. PACS No: 62.20.de, 62.20.dq, 62.50.-p, 64.00.00.