First-principles molecular dynamics study of the thermal stability of the BN, AlN, SiC and SiN interfacial layers in TiN-based heterostructures: Comparison with experiments

作者: V.I. Ivashchenko , S. Vepřek

DOI: 10.1016/J.TSF.2013.08.047

关键词: MonolayerSoft modesAtmospheric temperature rangeHeterojunctionCondensed matter physicsPhase (matter)TinLayer (electronics)PhononNanotechnologyMaterials science

摘要: We conducted first-principles molecular dynamics calculations of the stability and possible transformations of heterostructures consisting of face-centered-cubic (NaCl)-TiN(001) slabs …

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