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Structural, Mechanical, and Electronic Properties of Monoclinic N2H5N3 Under Pressure

Structural, elastic, mechanical, and electronic properties of monoclinic N2H5N3 at zero and high pressure have been investigated using the plane-wave ultrasoft pseudopotential method within the density-functional theory (DFT). The pressure dependences of structural parameters, elastic constants,mech...

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Publicado en:Brazilian Journal of Physics
Main Authors: Qi-Jun Liu, Fu-Sheng Liu, Zheng-Tang Liu
Formato: Artigo
Idioma:Inglês
Publicado: Sociedade Brasileira de Física 2015
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Acceso en liña:https://www.redalyc.org/articulo.oa?id=46439703005
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