Browsing by Author "Palacios, P."

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    • Self-consistent relativistic band structure of the CH3NH3PbI3 perovskite 
      Menéndez Proupin, Eduardo; Palacios, P.; Wahnón, P.; Conesa, J. C. (American Physical Society, 2014)
      The electronic structure and properties of the orthorhombic phase of the CH3NH3PbI3 perovskite are computed with density functional theory. The structure, optimized using a van der Waals functional, reproduces closely the ...