Work Function Trends and New Low-Work-Function Boride and Nitride Materials for Electron Emission Applications
نویسندگان
چکیده
LaB6 has been used as a commercial electron emitter for decades. Despite the large number of studies on work function LaB6, there is no comprehensive understanding trends in hexaboride material family. In this study, we use density functional theory calculations to calculate rare-earth and rationalize these based electronegativity metal element. We predict that alloying with Ba can further lower by ∼0.2 eV. Interestingly, find alloyed (La, Ba)B6 have functions than either or BaB6, benefiting from an enhanced surface dipole due element size mismatch. addition hexaborides, also investigate similar families, namely, tetraborides transition nitrides, which, like are electrically conductive refractory thus may be promising materials emission applications. consistently higher their analogues less ionic bonding smaller positive dipoles. Finally, HfN low about 2.2 eV, making potentially new material.
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ژورنال
عنوان ژورنال: Journal of Physical Chemistry C
سال: 2021
ISSN: ['1932-7455', '1932-7447']
DOI: https://doi.org/10.1021/acs.jpcc.1c04289