First-principles analysis of the structural, electronic, and elastic properties of cubic organic-inorganic perovskite HC(NH 2 ) 2 PbI 3
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DOI: 10.1088/1674-1056/26/10/106301
Abstract: The structural, electronic, and elastic properties of cubic HC(NH2)2PbI3 perovskite are investigated by density functional theory using the Tkatchenko–Scheffler pairwise dispersion scheme. Our relaxed lattice parameters are in agreement with experimental data. The hydrogen bonding… read more here.
Keywords: structural electronic; electronic elastic; properties cubic; elastic properties ... See more keywords