Valence-band electronic structure of iron phthalocyanine: An experimental and theoretical photoelectron spectroscopy study

Journal of Chemical Physics

Volumn 134, Issue 7, 2011, Pages

  Brena, Barbara ^a   Puglia, Carla ^a   De Simone, Monica ^b   Coreno, Marcello ^c   Tarafder, Kartick ^a   Feyer, Vitaly ^d   Banerjee, Rudra ^e   Göthelid, Emmanuelle ^a   Sanyal, Biplab ^a   Oppeneer, Peter M ^a   Eriksson, Olle ^a  

^a UPPSALA UNIVERSITY   (Sweden)

^b IOM CNR LABORATORIO TASC   (Italy)

^c CNR   (Italy)

^d SINCROTRONE TRIESTE   (Italy)

^e S N BOSE NATIONAL CENTRE FOR BASIC SCIENCES   (India)

Author keywords

[No Author keywords available]

Indexed keywords

3D ELECTRON; ATOMIC ORBITAL; ENERGY POSITION; EXCHANGE-CORRELATION FUNCTIONALS; GASPHASE; GENERALIZED GRADIENT APPROXIMATIONS; HIGHEST OCCUPIED MOLECULAR ORBITAL; IRON PHTHALOCYANINES; PHOTOELECTRON SPECTRUM; PHOTOIONIZATION CROSS SECTION; PHOTON ENERGY; QUANTUM CHEMICAL CALCULATIONS; RELATIVE INTENSITY; SPECTRAL FEATURE; STRONG CORRELATION; VALENCE REGION; VALENCE-BAND ELECTRONIC STRUCTURE;

ATOMIC SPECTROSCOPY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ELECTRONS; MOLECULAR ORBITALS; NITROGEN COMPOUNDS; PHOTOELECTRICITY; PHOTOELECTRON SPECTROSCOPY; PHOTONS; THREE DIMENSIONAL;

DENSITY FUNCTIONAL THEORY;

EID: 79951907092     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3554212     Document Type: Article

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