Introduction to graphene-based nanomaterials: from electronic structure to quantum transport
Gespeichert in:
| Hauptverfasser: | , , |
|---|---|
| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
Cambridge
Cambridge University Press
2014
|
| Ausgabe: | 1. publ. |
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis Klappentext |
| Beschreibung: | XIII, 409 S. Ill., graph. Darst. |
| ISBN: | 9781107030831 |
Internformat
MARC
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| 100 | 1 | |a Foa Torres, Luis E. F. |e Verfasser |4 aut | |
| 245 | 1 | 0 | |a Introduction to graphene-based nanomaterials |b from electronic structure to quantum transport |c Luis E. F. Foa Torres ; Stephan Roche ; Jean-Christophe Charlier |
| 250 | |a 1. publ. | ||
| 264 | 1 | |a Cambridge |b Cambridge University Press |c 2014 | |
| 300 | |a XIII, 409 S. |b Ill., graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
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| 700 | 1 | |a Roche, Stephan |e Verfasser |4 aut | |
| 700 | 1 | |a Charlier, Jean-Christophe |e Verfasser |4 aut | |
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Datensatz im Suchindex
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| adam_text |
Contents
Preface
page
xi
Introduction to carbon-based nanostructures
ι
1.1
Carbon structures and hybridizations
1
1.2
Carbon nanostructures
4
J
.3
Guide to the book
8
1.4
Further reading
10
Electronic properties of carbon-based nanostructures 1
1
2.1
Introduction
1
1
2.2
Electronic properties of graphene
12
2.2.1
Tight-binding description of graphene
12
2.2.2
Effective description close to the Dirac point and massless Dirac
fermions
17
2.2.3
Electronic properties of graphene beyond the linear
approximation
22
2.3
Electronic properties of few-layer graphene
26
2.4
Electronic properties of graphene nanoribbons
31
2.4.1
Electronic properties of armchair nanoribbons (aGNRs)
34
2.4.2
Electronic properties of zigzag nanoribbons (zGNRs)
38
2.5
Electronic properties of carbon nanotubes
41
2.5.1
Structural parameters of CNTs
41
2.5.2
Electronic structure of CNTs within the zone-folding
approximation
43
2.5.3
Curvature effects: beyond the zone-folding model
48
2.5.4
Small-diameter nanotubes: beyond the tight-binding approach
50
2.5.5
Nanotubes in bundles
5
1
2.5.6
Multnvali nanotubes
53
2.6
Spin-orbit coupling in graphene
55
2.7
Magnetic field effects in low-dimensional graphene-related materials
57
2.7.1
Short historical perspective
57
2.7.2
Peierls substitution
58
vi
Contents
2.7.3 Parallel
field, Aharonov-Bohm gap opening and orbital
degeneracy splitting
58
2.7.4
Perpendicular field and Landau levels
62
2.7.5
Landau levels in graphene
65
2.8
Defects and disorder in graphene-based nanostructures
67
2.8.1
Structural point defects in graphene
68
2.8.2
Grain boundaries and extended defects in graphene
71
2.8.3
Structural defects at graphene edges
76
2.8.4
Defects in carbon nanotubes
82
2.9
Further reading and problems
85
Quantum transport: general concepts
91
3.1
Introduction
91
3.1.1
Relevant time and length scales
91
3.1.2
Coherent versus sequential transport
92
3.2 Landaiier-Büttiker
theory
94
3.2.1
Heuristic derivation of
Landauer 's
formula
97
3.3
Boltzmann semiclassical transport
98
3.3.1
The relaxation time approximation and the Boltzmann
conductivity
99
3.4
Kubo
formula for the electronic conductivity
101
3.4.1
Illustrations for ballistic and diffusive regimes
105
3.4.2
Kubo
versus
Landauer 107
3.4.3
Validity limit of Ohm's law in the quantum regime
108
3.4.4
The
Kubo
formalism in real space
108
3.4.5
Scaling theory of localization
111
3.5
Quantum transport beyond the fully coherent or decoherent
limits
115
3.6
Further reading and problems
116
Klein tunneling and ballistic transport in graphene and related materials
118
4.1
The Klein tunnel ing mechanism
118
4.1.1
Kiein tunneling through monolayer graphene with a single
(impurity) potential barrier
119
4.1.2
Klein tunneling through bilayer graphene with a single (impurity)
potential barrier
124
4.2
Ballistic transport in carbon nanotubes and graphene
126
4.2.1
Ballistic motion and conductance quantization
127
4.2.2
Mode decomposition in real space
128
4.2.3
Fabry-Pérot
conductance oscillations
132
4.2.4
Contact effects: SWNT-based heterojunctions and the role of
contacts between metals and carbon-based devices
135
Contents
vii
4.3
Ballistic motion through a graphene constriction: the 2D limit and the
minimum conductivity
140
4.4
Further reading and problems
141
Quantum transport in disordered graphene-based materials
143
5.1
Elastic mean free path
143
5.1.1
Temperature dependence of the mean free path
146
5.1.2
Inelastic mean free path in the high-bias regime
148
5.1.3
Quantum interference effects and localization phenomena in
disordered graphene-based materials
150
5.1.4
Edge disorder and transport gaps in graphene nanoribbons
152
5.2
Transport properties in disordered two-dimensional graphene
154
5.2.1
Two-dimensional disordered graphene: experimental and
theoretical overview
154
5.2.2
Metallic versus insulating state and minimum conductivity
158
5.2.3
Boltzmann transport in two-dimensional graphene
158
5.2.4
Kubo
transport: graphene with Anderson disorder
166
5.2.5
Kubo
transport: graphene with Gaussian impurities
169
5.2.6
Weak localization phenonema in disordered graphene
173
5.2.7
Strong localization in disordered graphene
] 8
1
5.3
Quantum Hall effect in graphene
í
82
5.3.1
Hall quantization in graphene
183
5.3.2
The mystery of the zero-energy Landau level splitting
184
5.3.3
Universal longitudinal conductivity at the Dirac point
185
5.4
Graphene with monovacancies
187
5.4.1
Electronic structure of graphene with monovacancies
190
5.4.2
Transport features of graphene with monovacancies
191
5.5
Polycrystalline graphene
195
5.5.1
Motivation and structural models
195
5.5.2
Electronic properties of polycrystalline graphene
199
5.5.3
Mean free path, conductivity and charge mobility
201
5.6
Amorphous graphene
202
5.6.1
Structural models
202
5.6.2
Electronic properties of amorphous graphene
203
5.6.3
Mean free path, conductivity and localization
204
5.7
Phonon transport in graphene-related materials
206
5.7.1
Computational phonon propagation methodology
206
5.7.2
Disordered carbon nanotubes with isotope impurities
208
5.7.3
Disordered graphene nanoribbons with edge disorder
209
5.8
Graphene quantum dots
211
5.8.1
Generalities on Coulomb blockade
212
5.8.2
Confining charges in graphene devices
214
5.9
Further reading and problems
217
viii Contents
6
Quantum transport
beyond DC
219
6.
1 Introduction: why AC fields?
219
6.2
Adiabatic approximation
220
6.3
Floquet theory
221
6.3.1
Average current and density of states
222
6.3.2
Homogeneous driving and the Tien-Gordon model
224
6.3.3
Time-evolution operator
224
6.4
Overview of AC transport in carbon-based devices
225
6.5
AC transport and laser-induced effects on the electronic properties
of graphene
227
6.6
Further reading and problems
230
7 Ab
initia
and
muniscale
quantum transport in graphene-based materials
232
7.1
Introduction
232
7.2
Chemically doped nanotubes
233
7.2.1
Tight-binding Hamiltonian of the pristine carbon nanotube
233
7.2.2
Boron-doped metallic carbon nanotubes
233
7.2.3
Nitrogen-doped metallic carbon nanotubes
236
7.3
Two-dimensional disordered graphene with adatoms defects
242
7.3.1
Monatomic oxygen defects
242
7.3.2
Atomic hydrogen defects
246
7.3.3
Scattering times
248
7.4
Structural point defects embedded in graphene
249
7.5
Ab initio
quantum transport in ID carbon nanostructures
251
7.5.1
Introduction
251
7.5.2
Carbon nanotubes
253
7.5.3
Defective carbon nanotubes
255
7.5.4
Doped carbon nanotubes
259
7.5.5
Functionalized carbon nanotubes
261
7.5.6
Carbon nanotubes decorated with metal clusters
269
7.5.7
Graphene nanoribbons
278
7.5.8
Graphene nanoribbons with point defects
280
7.5.9
Graphene nanoribbons with edge reconstruction
281
7.5.10
Graphene nanoribbons with edge disorder
282
7.5.1
1 Doped graphene nanoribbons
288
7.5.12
GNR-based networks
293
7.6
Conclusion
298
б
Applications
300
8.1
Introduction
300
8.2
Flexible electronics
301
8.3
High-frequency electronics
302
Contents
IX
8.4
Optoelectronics-photonics-plasmonics
304
8.4
Л
Opacity of graphene and fine structure constant
304
8.4.2
Harnessing graphene with light: a new dimension of possibilities
305
8.5
Digital logic gates
306
8.6
Digital nonvolatile graphene memories
307
8.7
Graphene nanoresonators
308
8.8
Spintronics
309
8.9
Further reading
313
Appendix A Electronic structure calculations: the density functional theory
(DR)
з
14
A.I Introduction
314
A.2 Overview of the approximations
314
A.2.
1
The
Schrödinger
equation
314
A.2.
2
The Born-Oppenheimer approximation
315
A.2.3 The
Hartree
approximation
316
A.2.
4
The Hartree-Fock approximation 3J7
A.3 Density functional theory
318
A3.1
The Thomas-Fermi model
318
A.3
.2
The
Hohen
berg-Kohn theorem
319
A.
3.3
The Kohn-Sham equations
320
A.3
.4
The exchange—correlation functionals
322
A.4 Practical calculations
324
A.4.1 Crystal lattice and reciprocal space
324
A.4.2 The plane wave representation
325
A.4.3 k-point grids and band structures
326
A.4.4 The pseudopotential approximation
326
A.4.5 Available DFT codes
330
Appendix
В
Electronic structure calculations: the many-body perturbation
theory (MBPT)
332
B.I Introduction
332
B.2 Many-body perturbation theory (MBPT)
333
B.2.1
Hedin
ns equations
333
B.2.2
GW
approximation
334
B.3 Practical implementation of Go
До
335
B.3.1 Perturbative approach
335
B.3.2 Plasmonpole
336
Appendix
С
Green's functions and
ab mítio
quantum transport in the
Landauer-Büttiker
formalism
338
C. I Phase-coherent quantum transport and the Greenes function formalism
338
C.2 Self-energy corrections and recursive Greenes functions techniques
344
Contents
С.З
Dyson's equation and an application to treatment of disordered systems
347
C.4 Computing transport properties within
ab initio
simulations
351
Appendix
D
Recursion methods for computing the DOS and wavepacket dynamics
358
D.I Lanczos method for the density of states
358
D
Л Л
Termination of the continued fraction
361
D.2 Wavepacket propagation method
363
D.3 Lanczos method for computing off-diagonal Green's functions
367
References
370
index
405
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| any_adam_object | 1 |
| author | Foa Torres, Luis E. F. Roche, Stephan Charlier, Jean-Christophe |
| author_facet | Foa Torres, Luis E. F. Roche, Stephan Charlier, Jean-Christophe |
| author_role | aut aut aut |
| author_sort | Foa Torres, Luis E. F. |
| author_variant | t l e f f tlef tleff s r sr j c c jcc |
| building | Verbundindex |
| bvnumber | BV041586399 |
| classification_rvk | UP 3150 UQ 8225 VE 9850 |
| ctrlnum | (OCoLC)873418334 (DE-599)GBV750946776 |
| discipline | Chemie / Pharmazie Physik |
| edition | 1. publ. |
| format | Book |
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| id | DE-604.BV041586399 |
| illustrated | Illustrated |
| indexdate | 2024-09-23T12:05:22Z |
| institution | BVB |
| isbn | 9781107030831 |
| language | English |
| lccn | 2013022966 |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-027031560 |
| oclc_num | 873418334 |
| open_access_boolean | |
| owner | DE-355 DE-BY-UBR DE-29T DE-20 DE-11 |
| owner_facet | DE-355 DE-BY-UBR DE-29T DE-20 DE-11 |
| physical | XIII, 409 S. Ill., graph. Darst. |
| publishDate | 2014 |
| publishDateSearch | 2014 |
| publishDateSort | 2014 |
| publisher | Cambridge University Press |
| record_format | marc |
| spelling | Foa Torres, Luis E. F. Verfasser aut Introduction to graphene-based nanomaterials from electronic structure to quantum transport Luis E. F. Foa Torres ; Stephan Roche ; Jean-Christophe Charlier 1. publ. Cambridge Cambridge University Press 2014 XIII, 409 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Werkstoff (DE-588)4065579-9 gnd rswk-swf Nanostrukturiertes Material (DE-588)4342626-8 gnd rswk-swf Nanotechnologie (DE-588)4327470-5 gnd rswk-swf Monoschicht (DE-588)4250307-3 gnd rswk-swf Graphen (DE-588)7591667-8 gnd rswk-swf Kohlenstoff (DE-588)4164538-8 gnd rswk-swf Monoschicht (DE-588)4250307-3 s DE-604 Kohlenstoff (DE-588)4164538-8 s Werkstoff (DE-588)4065579-9 s Nanotechnologie (DE-588)4327470-5 s Graphen (DE-588)7591667-8 s Nanostrukturiertes Material (DE-588)4342626-8 s 1\p DE-604 Roche, Stephan Verfasser aut Charlier, Jean-Christophe Verfasser aut Digitalisierung UB Regensburg - ADAM Catalogue Enrichment application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027031560&sequence=000003&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis Digitalisierung UB Regensburg - ADAM Catalogue Enrichment application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027031560&sequence=000004&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA Klappentext 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Foa Torres, Luis E. F. Roche, Stephan Charlier, Jean-Christophe Introduction to graphene-based nanomaterials from electronic structure to quantum transport Werkstoff (DE-588)4065579-9 gnd Nanostrukturiertes Material (DE-588)4342626-8 gnd Nanotechnologie (DE-588)4327470-5 gnd Monoschicht (DE-588)4250307-3 gnd Graphen (DE-588)7591667-8 gnd Kohlenstoff (DE-588)4164538-8 gnd |
| subject_GND | (DE-588)4065579-9 (DE-588)4342626-8 (DE-588)4327470-5 (DE-588)4250307-3 (DE-588)7591667-8 (DE-588)4164538-8 |
| title | Introduction to graphene-based nanomaterials from electronic structure to quantum transport |
| title_auth | Introduction to graphene-based nanomaterials from electronic structure to quantum transport |
| title_exact_search | Introduction to graphene-based nanomaterials from electronic structure to quantum transport |
| title_full | Introduction to graphene-based nanomaterials from electronic structure to quantum transport Luis E. F. Foa Torres ; Stephan Roche ; Jean-Christophe Charlier |
| title_fullStr | Introduction to graphene-based nanomaterials from electronic structure to quantum transport Luis E. F. Foa Torres ; Stephan Roche ; Jean-Christophe Charlier |
| title_full_unstemmed | Introduction to graphene-based nanomaterials from electronic structure to quantum transport Luis E. F. Foa Torres ; Stephan Roche ; Jean-Christophe Charlier |
| title_short | Introduction to graphene-based nanomaterials |
| title_sort | introduction to graphene based nanomaterials from electronic structure to quantum transport |
| title_sub | from electronic structure to quantum transport |
| topic | Werkstoff (DE-588)4065579-9 gnd Nanostrukturiertes Material (DE-588)4342626-8 gnd Nanotechnologie (DE-588)4327470-5 gnd Monoschicht (DE-588)4250307-3 gnd Graphen (DE-588)7591667-8 gnd Kohlenstoff (DE-588)4164538-8 gnd |
| topic_facet | Werkstoff Nanostrukturiertes Material Nanotechnologie Monoschicht Graphen Kohlenstoff |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027031560&sequence=000003&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027031560&sequence=000004&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT foatorresluisef introductiontographenebasednanomaterialsfromelectronicstructuretoquantumtransport AT rochestephan introductiontographenebasednanomaterialsfromelectronicstructuretoquantumtransport AT charlierjeanchristophe introductiontographenebasednanomaterialsfromelectronicstructuretoquantumtransport |