Harold Morris - Academia.edu (original) (raw)
Related Authors
Università degli Studi di Bergamo (University of Bergamo)
Centre National de la Recherche Scientifique / French National Centre for Scientific Research
Uploads
Papers by Harold Morris
Discussions of the Faraday Society, 1971
The energy band structures of coronene and ovalene have been calculated in the tight binding appr... more The energy band structures of coronene and ovalene have been calculated in the tight binding approximation using Slater-type orbitals for carbon. The energy band structures of both excess electrons and holes in coronene consist of two sets of energy bands, corresponding to the two degenerate molecular energy levels of the free molecule, which exhibit a high degree of anisotropy with an average width of 0.05 eV. The energy dependence on the wave vector for k parallel to b* has several unusual features. The behaviour can, however, be understood in terms of energy band-energy band interactions. Minimum values of the mobility, calculated such that the uncertainty principle is not violated, are ca. 5 cm2/V s along the b* axis. The energy band structure of ovalene is comparatively simple, again showing a high degree of anisotropy and large bandwidths (0.1 eV). Minimum values of the mobility are of a similar order to those in coronene.
Aden owled Remen ts ISS® Chapter (1) Chapter (2) 2.1 2.2 2.3 Chapter (3) 3.1 3.2 3.3 (i i i) Deri... more Aden owled Remen ts ISS® Chapter (1) Chapter (2) 2.1 2.2 2.3 Chapter (3) 3.1 3.2 3.3 (i i i) Derivation o f the energy expression 26 Civ) Conditions model imposed by the energy band 33 On the use o f sin g le S later wave functions in band structure calculations with sp ecia l reference to naphthalene 38 (iv) The v a lid ity o f the band model 70 3.7 Discussion and Conclusion Chapter (A) 4.1 4.2 4.3 4.4 4.5 On the energy band structure and ca rrier m obilities in cry sta llin e anthracene v i-■Page Chapter (5) M obilities o f excess electrons and holes in cry sta llin e phenanthrene 111 5»1 Introduction 112 5.2 Crystal and molecular wave functions 112 5*3 Energy band structure 114 5.4 M obility tensor 121 (i) Carrier m obilities in the band approximation 121 (i i) Carrier m obilities in the lo ca lize d representation 127 5.5 Comparison o f phenanthrene with anthracene 130 5.6 Comments on the p ola riza tion phenomena observed in high purity phenanthrene crystals 130 5 .7 Conclusion 133 Chapter (6) The energy band structure and ca rrier m obilities in some condensed hydrocarbons 135 6.1 Introduction 136 6.2 Energy band structure 138 6.3 M obility tensor 155 6.4 Orientation o f the prin cip le axes o f the m obility tensor 161 6.5 Comparison o f theory with experiment 166 6.6 Conclusion 169 Chapter (7) On the ca rrier m ob ilities in cry sta llin e a-phenazine 172 V ll-Page 7.4 M obility tensor 184 (i) M obilities in the band approximation (i i) M obilities in the lo ca liz e d representation 7.5 Conclusion Chapter (8) On the energy band structure and ca rrier m obilities in crysta llin e 6-phthalocyanine 8.1 209 representation 209 8.6 Conclusion 212 Chapter (9) Transfer and overlap in tegrals fo r imidazole and purine 214 9.1 Introduction 215 9.2 Numerical calculations 215 CHAPTER (1) (v i) Hall e ffe c t » 4.6 Conclusion * * u n i t s : 1 k> 3 m /s e c .
Discussions of the Faraday Society, 1971
The energy band structures of coronene and ovalene have been calculated in the tight binding appr... more The energy band structures of coronene and ovalene have been calculated in the tight binding approximation using Slater-type orbitals for carbon. The energy band structures of both excess electrons and holes in coronene consist of two sets of energy bands, corresponding to the two degenerate molecular energy levels of the free molecule, which exhibit a high degree of anisotropy with an average width of 0.05 eV. The energy dependence on the wave vector for k parallel to b* has several unusual features. The behaviour can, however, be understood in terms of energy band-energy band interactions. Minimum values of the mobility, calculated such that the uncertainty principle is not violated, are ca. 5 cm2/V s along the b* axis. The energy band structure of ovalene is comparatively simple, again showing a high degree of anisotropy and large bandwidths (0.1 eV). Minimum values of the mobility are of a similar order to those in coronene.
Aden owled Remen ts ISS® Chapter (1) Chapter (2) 2.1 2.2 2.3 Chapter (3) 3.1 3.2 3.3 (i i i) Deri... more Aden owled Remen ts ISS® Chapter (1) Chapter (2) 2.1 2.2 2.3 Chapter (3) 3.1 3.2 3.3 (i i i) Derivation o f the energy expression 26 Civ) Conditions model imposed by the energy band 33 On the use o f sin g le S later wave functions in band structure calculations with sp ecia l reference to naphthalene 38 (iv) The v a lid ity o f the band model 70 3.7 Discussion and Conclusion Chapter (A) 4.1 4.2 4.3 4.4 4.5 On the energy band structure and ca rrier m obilities in cry sta llin e anthracene v i-■Page Chapter (5) M obilities o f excess electrons and holes in cry sta llin e phenanthrene 111 5»1 Introduction 112 5.2 Crystal and molecular wave functions 112 5*3 Energy band structure 114 5.4 M obility tensor 121 (i) Carrier m obilities in the band approximation 121 (i i) Carrier m obilities in the lo ca lize d representation 127 5.5 Comparison o f phenanthrene with anthracene 130 5.6 Comments on the p ola riza tion phenomena observed in high purity phenanthrene crystals 130 5 .7 Conclusion 133 Chapter (6) The energy band structure and ca rrier m obilities in some condensed hydrocarbons 135 6.1 Introduction 136 6.2 Energy band structure 138 6.3 M obility tensor 155 6.4 Orientation o f the prin cip le axes o f the m obility tensor 161 6.5 Comparison o f theory with experiment 166 6.6 Conclusion 169 Chapter (7) On the ca rrier m ob ilities in cry sta llin e a-phenazine 172 V ll-Page 7.4 M obility tensor 184 (i) M obilities in the band approximation (i i) M obilities in the lo ca liz e d representation 7.5 Conclusion Chapter (8) On the energy band structure and ca rrier m obilities in crysta llin e 6-phthalocyanine 8.1 209 representation 209 8.6 Conclusion 212 Chapter (9) Transfer and overlap in tegrals fo r imidazole and purine 214 9.1 Introduction 215 9.2 Numerical calculations 215 CHAPTER (1) (v i) Hall e ffe c t » 4.6 Conclusion * * u n i t s : 1 k> 3 m /s e c .