We use ab initio calculations to examine thermodynamic factors that could promote the formation of recently proposed unique and compounds. We demonstrate that these compact boron-rich phases are stabilized further under pressure. We also show that chromium tetraboride is more stable in the new oP10 rather than the reported oI10 structure which opens up the possibility of realizing an pseudobinary material. In addition to exhibiting remarkable electronic features, and are expected to be harder than the known Fe–B compounds commonly used for hard coating applications.
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2011
American Institute of Physics
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