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== Graphene ==
== Quantum Mechanics ==
* C. Cohen-Tannoudji, B. Diu, and F. Laloe: ''Quantum Mechanics'', 2 Volume Set (Wiley, Hoboken, 2006).
 
== Statistical Mechanics ==
*M. Kardar, ''Statistical Physics of Particles'' (Cambridge University Press, Cambridge, 2007).
 
==Solid State Physics==
*G. Grosso and G. Pastori Parravicini, ''Solid State Physics'' (Academic Press, San Diego, 2013).
*E. Canadell, M.-L. Doublet, and C. Iung, ''Orbital Approach to the Electronic Structure of Solids'' (Oxford University Press, Oxford, 2012).
 
== Spintronics ==
 
=== Semiconductor spintronics ===
* J. Fabian, A. Matos-Abiaguea, C. Ertlera, P. Stano, and I. Žutic, ''Semiconductor Spintronics'', Acta Physica Slovaca '''57''', 565 (2007) [http://www.physics.udel.edu/~bnikolic/QTTG/NOTES/SPINTRONICS/FABIAN=semiconductor_spintronics.pdf  [PDF]].
* B. K. Nikolic, L. P. Zarbo, and S. Souma, Spin currents in semiconductor nanostructures: A nonequilibrium Green function approach, Chapter 24 in The Oxford Handbook on Nanoscience and Technology: Frontiers and Advances, Vol. I: Basic Aspects, edited by A. V. Narlikar and Y. Y. Fu. (Oxford University Press, Oxford, 2010). [http://www.physics.udel.edu/%7Ebnikolic/PDF/spin_currents_oup.pdf [PDF]]
 
=== Metal spintronics ===
* D. C. Ralph and M. A. Stiles, ''Tutorial on spin transfer torque'', Journal of Magnetism and Magnetic Materials '''320''', 1190 (2008).  [http://arxiv.org/PS_cache/arxiv/pdf/0711/0711.4608v3.pdf [PDF]] (the arXiv version linked here is corrected and contains additional material compared to officially published JMMM article).
 
=== Topological Insulators ===
* M. Z. Hasan, C. L. Kane, ''COLLOQUIUM: Topological insulators'', Rev.Mod.Phys. '''82''',3045 (2010). [http://dx.doi.org/10.1103/RevModPhys.82.3045 [PDF]]
 
== Advanced NEGF computational algorithms==
 
=== Self-energies of semi-infinite electrodes ===
 
* J. Velev and W. Butler, ''On the equivalence of different techniques for evaluating the Green function for a semi-infinite system using a localized basis'', J. Phys.: Condens. Matter '''16''', R637 (2004). [http://www.physics.udel.edu/~bnikolic/QTTG/NOTES/COMPUTATIONAL_NEGF/SELF_ENERGY/BUTLER=on_the_equvalence_of_different_techniques_for_evaluating_green_functions_for_a_semiinfinite_system_using_a_localized_basis.pdf [PDF]]
 
* H. H. B. Sørensen, P. C. Hansen, D. E. Petersen and S. Skelboe, ''Krylov subspace method for evaluating the self-energy matrices in electron transport calculations'', Phys. Rev. B '''77''', 155301 (2008). [http://www.physics.udel.edu/~bnikolic/QTTG/NOTES/COMPUTATIONAL_NEGF/SELF_ENERGY/STOKBRO=krylov_subspace_method_for_evaluating_self_energy_matrices_in_electron_transport_calculations.pdf [PDF]]
 
* I. Rungger and S. Sanvito, ''Algorithm for the construction of self-energies for electronic transport calculations based on singularity elimination and singular value decomposition'', Phys. Rev. B '''78''', 035407 (2008). [http://www.physics.udel.edu/~bnikolic/QTTG/NOTES/COMPUTATIONAL_NEGF/SELF_ENERGY/SANVITO=algorithm_for_construction_of_self_energies_for_electronic_transport_calclations_based_on_singularity_elimination_and_singular_value_decomposition.pdf [PDF]]
 
===k-point sampling===
* M.-H. Liu and K. Richter, ''Efficient quantum transport simulation for bulk graphene heterojunctions'', Phys. Rev. B '''86''', 115455 (2012).  [http://prb.aps.org/abstract/PRB/v86/i11/e115455 [PDF]].


*A. H. Castro Neto, F. Guinea, N. M. R. Peres, K. S. Novoselov, and A. K. Geim, ''The electronic properties of graphene'', Rev. Mod. Phys. '''81''', 109 (2009). [http://link.aps.org/doi/10.1103/RevModPhys.81.109 [PDF]]
=== Recursive algorithms ===
* A. Cresti, N. Nemec, B. Biel, G. Niebler, F. Triozon, G. Cuniberti, and S. Roche, ''Charge transport in disordered graphene-based low-dimensional materials'', Nano Research  '''1''', 361 (2008). [http://www-drfmc.cea.fr/Phocea/file.php?class=pisp&reload=1226481222&file=sroche/files/22/22_88_.pdf [PDF]]


== Carbon Nanotubes ==
==== Two-terminal devices ====


* J.-C. Charlier, X. Blase, and S. Roche, ''Electronic and transport properties of nanotubes'', Rev. Mod. Phys. '''79''', 677 (2007). [http://link.aps.org/doi/10.1103/RevModPhys.79.677 [PDF]]
* D. A. Areshkin and B. K. Nikolic, ''Electron density and transport in top-gated graphene nanoribbon devices: First-principles Green function algorithms for systems containing large number of atoms'', Phys. Rev. B '''81''', 155450 (2010). [http://www.physics.udel.edu/~bnikolic/PDF/negf_dft_gnr.pdf [PDF]].


== Semiconductor Nanostructures ==
* A. Lassl, P. Schlagheck, and K. Richter, ''Effects of short-range interactions on transport through quantum point contacts: A numerical approach'', Phys. Rev. B '''75''', 045346 (2007). [http://www.physics.udel.edu/~bnikolic/QTTG/NOTES/COMPUTATIONAL_NEGF/RECURSIVE_METHODS/RICHTER=effects_of_short-range_interactions_on_transport_through_quantum_point_contacts_numerical_approach.pdf [PDF]]


* C. W. J. Beenakker and H. van Houten, ''Quantum transport in semiconductor nanostructures'', arXiv:cond-mat/0412664 [http://arxiv.org/pdf/cond-mat/0412664v1 [PDF]]
* P. S. Drouvelis, P. Schmelcher, and P. Bastian, ''Parallel implementation of the recursive Green’s function method'', J. Comp. Phys. '''215''', 741 (2006). [http://www.physics.udel.edu/~bnikolic/QTTG/NOTES/COMPUTATIONAL_NEGF/RECURSIVE_METHODS/PARALLEL_impementation_of_the_recursive_green_function_method.pdf [PDF]]
* H. van Houten, C. W. J. Beenakker, and A. A. M. Staring, ''Coulomb-blockade oscillations in semiconductor nanostructures'', arXiv:cond-mat/0508454 [http://arxiv.org/pdf/cond-mat/0508454v1 [PDF]]


== Quantum Mechanics ==
==== Multiterminal devices ====


== Statistical Mechanics ==
* M. Wimmer and K. Richter, ''Optimal block-tridiagonalization of matrices for coherent charge transport'', J. Comp. Phys. '''228''', 8548 (2009). [http://dx.doi.org/10.1016/j.jcp.2009.08.001 [PDF]]


* H. Gold and J. Tobochnik: ''Thermal and Statistical Physics'' [http://stp.clarku.edu/notes/ [PDF]]
* K. Kazymyrenko and X. Waintal, ''Knitting algorithm for calculating Green functions in quantum systems'', Phys. Rev. B '''77''', 115119 (2008). [http://www.physics.udel.edu/~bnikolic/QTTG/NOTES/COMPUTATIONAL_NEGF/RECURSIVE_METHODS/WAINTAL=knitting_algorithm_for_calculating_green_functions_in_quantum_systems.pdf [PDF]]
* G. Cook and R. H. Dickerson, ''Understanding the chemical potential'', Am. J. Phys. '''63''', 737 (1995). [http://dx.doi.org/10.1119/1.17844 [PDF]]


== Condensed Matter Physics ==
* [[Media:Qttg_mahfouzi.pdf | QTTG block-tridiagonalization algorithms]]


* E. Kaxiras: ''Atomic and Electronic Structure of Solids'' (Cambridge University Press, Cambridge, 2003). [http://www.cambridge.org/uk/catalogue/catalogue.asp?isbn=0521523397 [publisher Website]]
=== NEGF + DFT ===
* D. A. Areshkin and B. K. Nikolic, ''Electron density and transport in top-gated graphene nanoribbon devices: First-principles Green function algorithms for systems containing large number of atoms'', Phys. Rev. B '''81''', 155450 (2010). [http://www.physics.udel.edu/~bnikolic/PDF/negf_dft_gnr.pdf [PDF]].
* A. Rocha, ''Theoretical and Computational Aspects of Electronic Transport at the Nanoscale'' (PhD thesis for SMEAGOL).  [http://www.physics.udel.edu/~bnikolic/QTTG/NOTES/NEGF+DFT/SMEAGOL=rocha_phd_thesis.pdf [PDF]]
* M. Koentopp, ''Density Functional Calculations of Nanoscale Conductance'' (PhD thesis). [http://www.physics.udel.edu/~bnikolic/QTTG/NOTES/NEGF+DFT/KONTOPP=theory_of_electronic_transport_through_molecular_nanostructures.pdf [PDF]]
* S Kurth and G Stefanucci, Transport through correlated systems with density functional theory, J. Phys.: Condens. Matter {\bf 29}, 413002 (2017). [https://iopscience.iop.org/article/10.1088/1361-648X/aa7e36/pdf [PDF]]

Latest revision as of 15:13, 2 September 2020

Quantum Mechanics

  • C. Cohen-Tannoudji, B. Diu, and F. Laloe: Quantum Mechanics, 2 Volume Set (Wiley, Hoboken, 2006).

Statistical Mechanics

  • M. Kardar, Statistical Physics of Particles (Cambridge University Press, Cambridge, 2007).

Solid State Physics

  • G. Grosso and G. Pastori Parravicini, Solid State Physics (Academic Press, San Diego, 2013).
  • E. Canadell, M.-L. Doublet, and C. Iung, Orbital Approach to the Electronic Structure of Solids (Oxford University Press, Oxford, 2012).

Spintronics

Semiconductor spintronics

  • J. Fabian, A. Matos-Abiaguea, C. Ertlera, P. Stano, and I. Žutic, Semiconductor Spintronics, Acta Physica Slovaca 57, 565 (2007) [PDF].
  • B. K. Nikolic, L. P. Zarbo, and S. Souma, Spin currents in semiconductor nanostructures: A nonequilibrium Green function approach, Chapter 24 in The Oxford Handbook on Nanoscience and Technology: Frontiers and Advances, Vol. I: Basic Aspects, edited by A. V. Narlikar and Y. Y. Fu. (Oxford University Press, Oxford, 2010). [PDF]

Metal spintronics

  • D. C. Ralph and M. A. Stiles, Tutorial on spin transfer torque, Journal of Magnetism and Magnetic Materials 320, 1190 (2008). [PDF] (the arXiv version linked here is corrected and contains additional material compared to officially published JMMM article).

Topological Insulators

  • M. Z. Hasan, C. L. Kane, COLLOQUIUM: Topological insulators, Rev.Mod.Phys. 82,3045 (2010). [PDF]

Advanced NEGF computational algorithms

Self-energies of semi-infinite electrodes

  • J. Velev and W. Butler, On the equivalence of different techniques for evaluating the Green function for a semi-infinite system using a localized basis, J. Phys.: Condens. Matter 16, R637 (2004). [PDF]
  • H. H. B. Sørensen, P. C. Hansen, D. E. Petersen and S. Skelboe, Krylov subspace method for evaluating the self-energy matrices in electron transport calculations, Phys. Rev. B 77, 155301 (2008). [PDF]
  • I. Rungger and S. Sanvito, Algorithm for the construction of self-energies for electronic transport calculations based on singularity elimination and singular value decomposition, Phys. Rev. B 78, 035407 (2008). [PDF]

k-point sampling

  • M.-H. Liu and K. Richter, Efficient quantum transport simulation for bulk graphene heterojunctions, Phys. Rev. B 86, 115455 (2012). [PDF].

Recursive algorithms

Two-terminal devices

  • D. A. Areshkin and B. K. Nikolic, Electron density and transport in top-gated graphene nanoribbon devices: First-principles Green function algorithms for systems containing large number of atoms, Phys. Rev. B 81, 155450 (2010). [PDF].
  • A. Lassl, P. Schlagheck, and K. Richter, Effects of short-range interactions on transport through quantum point contacts: A numerical approach, Phys. Rev. B 75, 045346 (2007). [PDF]
  • P. S. Drouvelis, P. Schmelcher, and P. Bastian, Parallel implementation of the recursive Green’s function method, J. Comp. Phys. 215, 741 (2006). [PDF]

Multiterminal devices

  • M. Wimmer and K. Richter, Optimal block-tridiagonalization of matrices for coherent charge transport, J. Comp. Phys. 228, 8548 (2009). [PDF]
  • K. Kazymyrenko and X. Waintal, Knitting algorithm for calculating Green functions in quantum systems, Phys. Rev. B 77, 115119 (2008). [PDF]

NEGF + DFT

  • D. A. Areshkin and B. K. Nikolic, Electron density and transport in top-gated graphene nanoribbon devices: First-principles Green function algorithms for systems containing large number of atoms, Phys. Rev. B 81, 155450 (2010). [PDF].
  • A. Rocha, Theoretical and Computational Aspects of Electronic Transport at the Nanoscale (PhD thesis for SMEAGOL). [PDF]
  • M. Koentopp, Density Functional Calculations of Nanoscale Conductance (PhD thesis). [PDF]
  • S Kurth and G Stefanucci, Transport through correlated systems with density functional theory, J. Phys.: Condens. Matter {\bf 29}, 413002 (2017). [PDF]
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