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The electronic, mechanical properties and in-plane negative Poisson’s ratio in novel pentagonal NiX2 (X = S, Se, Te) monolayers with strong anisotropy: A first-principles prediction

Yongqiang Mao, Jingyi Zhang, Shulin Bai, Mengxiu Wu, Dongming Luo, Shuwei Tang

2022Computational Materials Science28 citationsDOI

Topics & Concepts

MonolayerAuxeticsMaterials sciencePentagonal bipyramidal molecular geometryPoisson's ratioAnisotropyElectronic structureCrystallographyPhononSemiconductorCondensed matter physicsNanotechnologyComputational chemistryCrystal structureChemistryPoisson distributionComposite materialPhysicsOpticsOptoelectronicsMathematicsStatistics2D Materials and ApplicationsMXene and MAX Phase MaterialsPerovskite Materials and Applications
The electronic, mechanical properties and in-plane negative Poisson’s ratio in novel pentagonal NiX2 (X = S, Se, Te) monolayers with strong anisotropy: A first-principles prediction | Litcius