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Calculation of the Energy Band Structures and Carrier Mobilities in γ‐Platinum Phthalocyanine Single Crystals
Author(s) -
Singh Jai
Publication year - 1977
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220820129
Subject(s) - platinum , chemistry , electronic band structure , relaxation (psychology) , electron , atomic orbital , atom (system on chip) , molecular physics , electron mobility , condensed matter physics , metal , atomic physics , materials science , physics , psychology , social psychology , biochemistry , organic chemistry , quantum mechanics , computer science , embedded system , catalysis
Tight‐binding calculations of the energy band structures for excess holes and electrons in γ‐PtPc are presented using single Slater‐type atomic orbitals. Carrier mobilities are also calculated using the constant relaxation time approximation. Hole energy bands containing the contributions from the platinum metal atom are shown to have as large band‐width as 3.6 eV along the crystal axis b . On the basis of the mobility calculations, it is predicted that the holes probably play a dominant role in the carrier transport in γ‐PtPc.