DFT simulation to study the mechanical, electronic, thermal and superconducting properties of borocarbides materials AX2B2C where A = Y, La, Th and X = Pd, Pt

Abstract The invention of superconductivity in quaternary borocarbides has been attracted great attraction in the recent time. Here, the elastic, electronic, thermal, superconducting and optical features of borocarbides materials AX2B2C (A = Y, La, Th and X = Pd, Pt) have been explored through ab-in...

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Κύριοι συγγραφείς:	Md. Atikur Rahman, Asma Khatun, Dayal Chandra Roy, Mezba Chowdhury, Ahmad Irfan
Μορφή:	Artigo
Γλώσσα:	Inglês
Έκδοση:	Nature Portfolio 2025-08-01
Σειρά:	Scientific Reports
Θέματα:	Borocarbides superconductors DFT reproduction Structural features Mechanical and electronic properties Thermal and superconducting behavior Optical features
Διαθέσιμο Online:	https://doi.org/10.1038/s41598-025-15759-2
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