Contributors |
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ix | |
Preface |
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xi | |
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1 Introduction to examination of 2D hexagonal band structure from a nanoscale perspective for use in electronic transport devices |
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1 | (6) |
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5 | (1) |
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6 | (1) |
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2 Determination of reciprocal lattice from direct space in 3D and 2D- Examination of hexagonal band structure |
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7 | (16) |
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2.1 3D analysis- direct and indirect space vectors |
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7 | (4) |
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2.2 2D analysis-direct and indirect space vectors |
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11 | (3) |
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2.3 2D analysis- first Brillouin zone vertex points |
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14 | (2) |
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2.4 2D analysis- uniqueness properties of crystallographic K points |
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16 | (1) |
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2.5 2D analysis- closest atoms for tight-binding method |
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17 | (3) |
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20 | (1) |
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21 | (2) |
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3 Tight-binding formulation of electronic band structure of 2D hexagonal materials |
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23 | (24) |
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3.1 π and σ orbitals in graphene |
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23 | (1) |
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3.2 Relationship between atomic orbitals and crystalline wavefunction |
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24 | (6) |
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3.3 Assessment of overlap between atomic orbitals |
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30 | (7) |
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3.4 Reduction of the spatially varying Schrodinger equation into a solvable system |
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37 | (6) |
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43 | (1) |
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43 | (4) |
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4 Evaluation of the matrix elements for the tight-binding formulation of 2D hexagonal materials |
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47 | (20) |
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4.1 Determination of an arbitrary Hamiltonian and self-matrix elements |
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47 | (7) |
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4.2 Secular equation of the system using the Hamiltonian |
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54 | (1) |
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4.3 Nearest neighbor hopping and overlap integrals |
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55 | (5) |
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4.4 Next nearest neighbor hopping and overlap integrals |
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60 | (4) |
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64 | (1) |
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64 | (3) |
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5 Solving the secular equation of the system for eigenenergy- 2D hexagonal materials |
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67 | (10) |
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5.1 Exact solution based upon the Hamiltonian matrix elements |
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67 | (3) |
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5.2 Approximate solution viewing various parameters as possessing order |
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70 | (1) |
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5.3 Unnormalizing the parameters in eigenenergy |
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71 | (1) |
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5.4 Unnormalizing the eigenenergy |
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72 | (1) |
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73 | (1) |
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74 | (3) |
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6 Properties of the bare shifted eigenenergy determined as a function of k vector- 2D hexagonal metarials |
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77 | (14) |
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6.1 Eigenenergy found as an explicit function of k vector |
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77 | (2) |
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6.2 Examination of the bands of graphene |
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79 | (2) |
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6.3 Determination of the Dirac reciprocal space k points |
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81 | (6) |
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6.4 Symmetry property of the eigenenergy |
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87 | (1) |
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88 | (1) |
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89 | (2) |
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7 Hamiltonian of the two atom sublattice system- 2D hexagonal materials |
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91 | (70) |
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7.1 Reduced Hamiltonian of the system- identical atoms in sublattices |
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91 | (2) |
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7.2 General solution for eigenenergy and eigenvector |
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93 | (5) |
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7.3 Specialized solution- dropping next nearest neighbor hopping term |
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98 | (3) |
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7.4 Low energy, small momentum deviations about the Dirac points |
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101 | (1) |
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7.5 Phase factor used in Hamiltonian and eigenfunction at Dirac points |
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102 | (3) |
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7.6 Hamiltonian and eigenenergy about Dirac points |
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105 | (8) |
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7.7 Band and Dirac point symmetry breaking due to second order q momentum effects |
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113 | (2) |
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7.8 Density of states near Dirac points |
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115 | (7) |
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7.9 Density of states in vicinity of electron group velocity approaching zero |
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122 | (8) |
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7.10 Density of states in vicinity of electron group velocity zero for finite k |
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130 | (7) |
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7.11 Eigenenergy at 1BZ edge at the Van Hove singularity point |
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137 | (20) |
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157 | (1) |
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157 | (4) |
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8 2-Spinor and 4-spinor wavefunctions and Hamiltonians- 2D hexagonal materials |
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161 | (18) |
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8.1 Review of 2-spinor construction |
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161 | (2) |
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8.2 4-Spinor: obtaining a reordered wavefunction and restructured Hamiltonian |
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163 | (3) |
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8.3 4-Spinoreigenenergiesand eigenfunctions under an approximation |
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166 | (3) |
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8.4 4-Spinor eigenstates: eigenfunctions and eigenenergies using reordered wavefunction and restructured Hamiltonian with the approximation |
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169 | (7) |
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176 | (3) |
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9 Examination of the relativistic Dirac equation and its implications for 2D hexagonal materials |
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179 | (72) |
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9.1 The relativistic energy |
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179 | (2) |
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9.2 The Dirac conditions obtained from linear energy representation and its Hamiltonian |
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181 | (4) |
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9.3 Allowable α- and β matrices |
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185 | (3) |
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9.4 Choosing a specific a,- and p set and their satisfaction of Dirac conditions |
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188 | (3) |
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9.5 Non-uniqueness of the Dirac matrices and their transformations |
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191 | (2) |
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193 | (4) |
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9.7 Plane wave form of the Dirac equation |
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197 | (2) |
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9.8 Eigenvalues of the plane wave Dirac equation |
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199 | (5) |
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9.9 Eigenvectors of the plane wave Dirac equation and comparison to graphene |
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204 | (11) |
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9.10 Spinor eigenvectors with transverse momentum plane wave Dirac equation |
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215 | (10) |
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9.11 Transforming from one Dirac matrix set to another |
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225 | (11) |
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9.12 Transformed plane wave Dirac equation for transverse momentum |
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236 | (11) |
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247 | (1) |
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247 | (4) |
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10 Different onsite energies for the two atom problem- 2D hexagonal materials |
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251 | (40) |
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10.1 Governing equation when onsite sublattice energies differ |
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251 | (5) |
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10.2 Examination of the Hamiltonian for the two atom system |
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256 | (3) |
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10.3 Evaluating the normalized BB self-energy matrix element |
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259 | (2) |
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10.4 Hamiltonian and governing equation with pivoting element unity |
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261 | (6) |
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10.5 Solving the governing equation for eigenvectors and eigenenergies |
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267 | (6) |
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10.6 Eigenenergy solution extracted from its governing equation form |
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273 | (14) |
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287 | (4) |
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11 Overall conclusion for 2D hexagonal materials |
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291 | (8) |
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294 | (1) |
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294 | (2) |
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296 | (3) |
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12 Performing EELS at higher energy losses at both 80 and 200 kV |
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299 | (58) |
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300 | (5) |
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2 Technical challenges in performing EELS at higher energy losses |
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305 | (17) |
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3 High loss EELS in practice using optimized camera lengths |
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322 | (26) |
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348 | (1) |
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349 | (1) |
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349 | (8) |
Index |
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357 | |