Energetics of hexagonal boron nitride nanostructures: edge dependence and truncation effects.
Sign Up to like & getrecommendations! Published in 2017 at "Nanoscale"
DOI: 10.1039/c7nr00933j
Abstract: The energetics and morphology of pristine hexagonal boron nitride (h-BN) nanosheets are investigated based on a self-consistent-charge density functional tight binding (SCC-DFTB) method. An energy decomposition ansatz based on dangling bond counting is proposed for… read more here.
Keywords: energy; boron nitride; hexagonal boron; energetic stability ... See more keywords
Engineering Mn3Ga/GaAs interfaces: a first-principles study on energetic stability and magnetic anisotropy
Sign Up to like & getrecommendations! Published in 2024 at "Journal of Physics D: Applied Physics"
DOI: 10.1088/1361-6463/ad36cf
Abstract: Mn3Ga-based ferrimagnets have emerged as a promising platform for energy-efficient spintronics. However, the challenge of identifying an appropriate substrate with minimal lattice misfit for the growth of high-quality Mn3Ga films while achieving the desired interfacial… read more here.
Keywords: magnetic anisotropy; stability magnetic; energetic stability; mn3ga gaas ... See more keywords