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DFT investigation of Mn–B compounds under high pressures: Thermodynamic stability and mechanical properties

Research output: Contribution to journal › Article › peer-review

DOI

https://doi.org/10.1016/j.vacuum.2025.114843
Final published version

Assyl Dastan B. Bazarbek
Nursultan E. Sagatov
Aitolkyn S. Omarkhan
Dinara N. Sagatova
Tatyana B. Bekker
Abdirash T. Akilbekov

Original language	English
Article number	114843
Journal	Vacuum
Volume	243
DOIs	https://doi.org/10.1016/j.vacuum.2025.114843
Publication status	Published - Jan 2026

Research areas

Crystal structure prediction, Density functional theory, High pressure, Manganese borides, Mechanical properties

OECD FOS+WOS

2.05.PM MATERIALS SCIENCE, MULTIDISCIPLINARY

ID: 72438096