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- W2056382021 abstract "Using first-principles method based on density functional theory, we have comparatively studied surface relaxation, surface energy, and electronic structure of the low-index surfaces (001), (110), and (111) of c-BN. The calculated surface energy indicated c-BN (110) was the most stable surface over the range of nitrogen chemical potential. It was consistent with the relaxation result that (110) surface showed the smallest contraction/expansion effect. According to density of states, which revealed the nature of stability, the surface electronic structure was mainly impacted by the first-layer atomic orbitals." @default.
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- W2056382021 date "1922-04-01" @default.
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- W2056382021 title "Change of the physical properties of materials with pressure" @default.
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- W2056382021 doi "https://doi.org/10.1016/s0016-0032(22)90529-0" @default.
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