Sökning: "Jorge Iribas Cerdá"

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1. 1. Theoretical modeling of scanning tunneling microscopy

   Författare :Alexander Gustafsson; Magnus Paulsson; Jorge Iribas Cerdá; Linnéuniversitetet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Scanning tunneling microscopy; Computational models; Quantum tunneling; Green s functions; Density functional theory; Condensed Matter Physics; Kondenserade materians fysik;

   Sammanfattning : The main body of this thesis describes how to calculate scanning tunneling microscopy (STM) images from first-principles methods. The theory is based on localized orbital density functional theory (DFT), whose limitations for large-vacuum STM models are resolved by propagating localized-basis wave functions close to the surface into the vacuum region in real space. LÄS MER