# Publications

From qttg

## Contents

## Review Articles and Book Chapters

- First-principles quantum transport modeling of spin-transfer and spin-orbit torques in magnetic multilayers
- Charge, spin and valley Hall effects in disordered graphene
- The nonequilibrium quantum many-body problem as a paradigm for extreme data science
- How to construct the proper gauge-invariant density matrix in steady-state nonequilibrium: Applications to spin-transfer and spin-orbit torques
- First-principles quantum transport modeling of thermoelectricity in single-molecule nanojunctions with graphene nanoribbon electrodes
- Spin currents in semiconductor nanostructures: A nonequilibrium Green function approach
- What can we learn about the dynamics of transported spins by measuring shot noise in spin-orbit-coupled nanostructures?
- Optimizing the speed of a Josephson junction with dynamical mean-field theory

## 2019

- K. Dolui, U. Bajpai, and B. K. Nikolić,
*Spin-mixing conductance of ferromagnet/topological-insulator and ferromagnet/heavy-metal heterostructure: A first-principles Floquet-nonequilibrium Green function approach*, arXiv:1905.01299.

## 2018

- U. Bajpai and B. K. Nikolić,
*Time-retarded damping and magnetic inertia in the Landau-Lifshitz-Gilbert equation self-consistently coupled to electronic time-dependent nonequilibrium Green functions*, Phys. Rev. B**99**, 134409 (2019). [PDF] - P. Mondal, M. D. Petrović, P. Plecháč, and B. K. Nikolić,
*Quantum spin-transfer torque induced nonclassical magnetization dynamics and electron-magnetization entanglement*, Phys. Rev. B**99**, 094431 (2019). [PDF] - U. Bajpai, B. S. Popescu, P. Plecháč, B. K. Nikolić, L. E. F. Foa Torres, H. Ishizuka, and N. Nagaosa,
*Spatio-temporal dynamics of shift current quantum pumping by femtosecond light pulse*, J. Phys.: Mater.**2**, 025004 (2019). [PDF]**Supplementary Movies:** - H. Mera, T. G. Pedersen, and B. K. Nikolić,
*Fast summation of divergent series and resurgent transseries in quantum field theories from Meijer-G approximants*, Phys. Rev. D**97**, 105027 (2018). [PDF] - M. Petrović, B. S. Popescu, U. Bajpai, P. Plecháč, and B. K. Nikolić,
*Spin and charge pumping by current-driven magnetic domain wall motion: A self-consistent multiscale time-dependent quantum-classical hybrid approach*, Phys. Rev. Applied**10**, 054038 (2018). [PDF]**Supplementary Movies:** - B. K. Nikolić, K. Dolui, M. Petrović, P. Plecháč, T. Markussen, and K. Stokbro,
*First-principles quantum transport modeling of spin-transfer and spin-orbit torques in magnetic multilayers*, arXiv:1801.05793. [PDF] (Chapter of Handbook of Materials Modeling, Volume 2 Applications: Current and Emerging Materials to be published by Springer).

## 2017

- K. Dolui and B. K. Nikolić,
*Spin-memory loss due to spin-orbit coupling at ferromagnet/heavy-metal interfaces: Ab initio spin-density matrix approach*, Phys. Rev. B**96**, 220403(R) (2017). [PDF] - J. M. Marmolejo-Tejada, J. H. García, M. Petrović, P.-H. Chang, X.-L. Sheng, A. Cresti, P. Plecháč, S. Roche, B. K. Nikolić,
*Deciphering the origin of nonlocal resistance in multiterminal graphene on hexagonal-boron-nitride with ab initio quantum transport: Fermi surface edge currents rather than Fermi sea topological valley currents*, J. Phys.: Mater.**1**, 0150061 (2018). [PDF] - J. M. Marmolejo-Tejada, K. Dolui, P. Lazić, P.-H. Chang, S. Smidstrup, D. Stradi, K. Stokbro, and B. K. Nikolić,
*Proximity band structure and spin textures on both sides of topological-insulator/ferromagnetic-metal interface and their transport probes*, Nano Lett.**17**, 5626 (2017). [PDF]

## 2016

- A. Cresti, B. K. Nikolić, J. H. García, and S. Roche,
*Charge, spin and valley Hall effects in disordered graphene,*Riv. Nuovo Cimento**39**, 587 (2016). [PDF] - X.-L. Sheng and B. K. Nikolić,
*Monolayer of the 5d transition metal trichloride OsCl*, Phys. Rev. B_{3}: A playground for two-dimensional magnetism, room-temperature quantum anomalous Hall effect, and topological phase transitions**95**, 201402(R) (2017). [PDF] - D. V. Tuan, J. M. Marmolejo-Tejada, X. Waintal, B. K. Nikolić, and S. Roche,
*Spin Hall effect and origins of nonlocal resistance in adatom-decorated graphene,*Phys. Rev. Lett.**117**, 176602 (2016). [PDF] - T. G. Pedersen, S. Latini, K. S. Thygesen, H. Mera and B. K. Nikolić,
*Exciton ionization in multilayer transition-metal dichalcogenides*, New J. Phys.**18**, 073043 (2016). [PDF]

## 2015

- H. Mera, T. G. Pedersen, and B. K. Nikolić,
*Hypergeometric resummation of self-consistent sunset diagrams for electron-boson quantum many-body systems out of equilibrium,*Phys. Rev. B**94**, 165429 (2016). [PDF] - T. G. Pedersen, H. Mera, and B. K. Nikolić,
*Stark effect in low-dimension hydrogen*, Phys. Rev. A**93**, 013409 (2016). [PDF] - F. Mahfouzi, B. K. Nikolić, and N. Kioussis,
*Antidamping spin-orbit torque driven by spin-flip reflection mechanism on the surface of a topological insulator: A time-dependent nonequilibrium Green function approach*, Phys. Rev. B**93**, 115419 (2016). [PDF]. - M. Jamali, J. S. Lee, J. S. Jeong, F. Mahfouzi, Y. Lv, Z. Zhao, B. K. Nikolić, K. Andre Mkhoyan, N. Samarth, and J.-P. Wang,
*Giant spin pumping and inverse spin Hall effect in the presence of surface spin-orbit coupling of topological insulator Bi*, Nano Lett._{2}Se_{3}**15**, 7126 (2015). [PDF] - P.-H. Chang, T. Markussen, S. Smidstrup, K. Stokbro, and B. K. Nikolić,
*Nonequilibrium spin texture within a thin layer below the surface of current-carrying topological insulator Bi*, Phys. Rev. B_{2}Se_{3}: A first-principles quantum transport study**92**, 201406(R) (2015). [PDF]

## 2014

- H. Mera. T. G. Pedersen, and B. K. Nikolić,
*Nonperturbative quantum physics from low-order perturbation theory*, Phys. Rev. Lett.**115**, 143001 (2015). [PDF] - J. K. Freericks, B. K. Nikolić, and O. Frieder,
*The nonequilibrium quantum many-body problem as a paradigm for extreme data science*, Int J. Mod. Phys. B**28**, 1430021 (2014). [PDF] - F. Mahfouzi, N. Nagaosa, and B. K. Nikolić,
*Spin-to-charge conversion in lateral and vertical topological-insulator/ferromagnet heterostructures with microwave-driven precessing magnetization*, Phys. Rev. B**90**, 115432 (2014). [PDF] - P.-H. Chang, H. Liu, and B. K. Nikolić,
*First-principles vs. semi-empirical modeling of global and local electronic transport properties of graphene nanopore-based sensors for DNA sequencing*, J. Comput. Electron.**13**, 847 (2014). [PDF] - P.-H. Chang, M. S. Bahramy, N. Nagaosa, and B. K. Nikolić,
*Giant thermoelectric effect in graphene-based topological insulators with nanopores*, Nano Lett.**14**, 3779 (2014). [PDF]

## 2013

- F. Mahfouzi and B. K. Nikolić,
*Signatures of electron-magnon interaction in charge and spin currents through magnetic tunnel junctions: A nonequilibrium many-body perturbation theory approach*, Phys. Rev. B**90**, 045115 (2014). [PDF] - P.-H. Chang, F. Mahfouzi, N. Nagaosa, and B. K. Nikolić,
*Spin-Seebeck effect on the surface of a topological insulator due to nonequilibrium spin-polarization parallel to the direction of thermally driven electronic transport*, Phys. Rev. B**89**, 195418 (2014). [PDF] - K. K. Saha and B. K. Nikolić,
*Negative differential resistance in graphene-nanoribbon/carbon-nanotube crossbars: A ﬁrst-principles multiterminal quantum transport study*, J. Comput. Electron.**12**, 542 (2013). [PDF] - F. Mahfouzi and B. K. Nikolić,
*How to construct the proper gauge-invariant density matrix in steady-state nonequilibrium: Applications to spin-transfer and spin-orbit torques*, SPIN**3**, 1330002 (2013). [PDF]

## 2012

- F. Mahfouzi, N. Nagaosa, and B. K. Nikolić,
*Spin-orbit coupling induced spin-transfer torque and current polarization in topological-insulator/ferromagnet vertical heterostructures*, Phys. Rev. Lett.**109**, 166602 (2012). [PDF]

- K. K. Saha, A. Blom, K. S. Thygesen, and B. K. Nikolić,
*Magnetoresistance and negative differential resistance in Ni/Graphene/Ni vertical heterostructures driven by finite bias voltage: A first-principles study*, Phys. Rev. B**85**, 184426 (2012). [PDF]

- P.-H. Chang, and B. K. Nikolić,
*Edge currents and nanopore arrays in zigzag and chiral graphene nanoribbons as a route toward high-*ZT*thermoelectrics*, Phys. Rev. B**86**, 041406(R) (2012). [PDF]

## 2011

- C.-L. Chen, C.-R. Chang, and B. K. Nikolić,
*Quantum coherence and its dephasing in the giant spin Hall effect and nonlocal voltage generated by magnetotransport through multiterminal graphene bars*, Phys. Rev. B**85**, 155414 (2012). [PDF]

- B. K. Nikolić, K. K. Saha, T. Markussen, and K. S. Thygesen,
*First-principles quantum transport modeling of thermoelectricity in single-molecule nanojunctions with graphene nanoribbon electrodes*, J. Comp. Electronics**11**, 78 (2012) (mini-review article for the special issue of JCEL on "Simulation of Thermal, thermoelectric, and Electro-thermal Phenomena in Nanostructures"). [PDF]

- F. Mahfouzi, J. Fabian, N. Nagaosa, and B. K. Nikolić,
*Charge pumping by magnetization dynamics in magnetic and semi-magnetic tunnel junctions with interfacial Rashba or bulk extrinsic spin-orbit couplings*, Phys. Rev. B**85**, 054406 (2012). [PDF]

- K. K. Saha, M. Drndić, and B. K. Nikolić,
*DNA base-specific modulation of microampere transverse edge currents through a metallic graphene nanoribbon with a nanopore*, Nano Lett.**12**, 50 (2012). [PDF]

- K. K. Saha, T. Markussen, K. S. Thygesen, and B. K. Nikolić,
*Multiterminal single-molecule–graphene-nanoribbon junctions with the thermoelectric figure of merit optimized via evanescent mode transport and gate voltage*, Phys. Rev. B**84**, 041412(R) (2011). [PDF]

## 2010

- B. K. Nikolić, L. P. Zarbo, and S. Souma,
*Spin currents in semiconductor nanostructures: A nonequilibrium Green function approach*, Chapter 24, page 814-866 in Volume I of The Oxford Handbook of Nanoscience and Technology: Frontiers and Advances, edited by A. V. Narlikar and Y. Y. Fu (Oxford University Press, Oxford, 2010); also available as arXiv:0907.4122.

- K. K. Saha, B. K. Nikolić, V. Meunier, W. Lu, and J. Bernholc,
*Quantum-interference-controlled three-terminal molecular transistors based on a single ring-shaped molecule connected to graphene nanoribbon electrodes*, Phys. Rev. Lett.**105**, 236803 (2010). [PDF]

- F. Mahfouzi, B. K. Nikolić, S.-H. Chen, and C.-R. Chang,
*Microwave-driven ferromagnet–topological-insulator heterostructures: The prospect for giant spin battery effect and quantized charge pump devices*, Phys. Rev. B**82**, 195440 (2010). [PDF]

- D. A. Areshkin and B. K. Nikolić,
*Electron density and transport in top-gated graphene nanoribbon devices: First-principles Green function algorithms for systems containing a large number of atoms*, Phys. Rev. B**81**, 155450 (2010). [PDF]

- S.-H. Chen, B. K. Nikolić, and C.-R. Chang,
*Inverse quantum spin Hall effect generated by spin pumping from precessing magnetization into a graphene-based two-dimensional topological insulator*, Phys. Rev. B**81**, 035428 (2010). [PDF]

## 2009

- D. A. Areshkin and B. K. Nikolić,
*I-V curve signatures of nonequilibrium-driven band gap collapse in magnetically ordered zigzag graphene nanoribbon two-terminal devices*, Phys. Rev. B**79**, 205430 (2009). [PDF] - B. K. Nikolić and R. L. Dragomirova,
*What can we learn about the dynamics of transported spins by measuring shot noise in spin-orbit-coupled nanostructures?*, Semicond. Sci. Tech.**24**, 064006 (2009) (review article for the special issue of Semicond. Sci. Tech. on "The effects of spin-orbit interaction on charge transport"). [PDF] - S.-H. Chen, C.-R. Chang, J. Q. Xiao, and B. K. Nikolić,
*Spin and charge pumping in magnetic tunnel junctions with precessing magnetization: A nonequilibrium Green function approach*, Phys. Rev. B.**79**, 054424 (2009). [PDF] - R. L. Dragomirova, D. A. Areshkin, and B. K. Nikolić,
*Shot noise probing of magnetic ordering in zigzag graphene nanoribbons*, Phys. Rev. B**79**, 241401(R) (2009). [PDF] - R. Cao, T. Moriyama, W. G. Wang, X. Fan, J. Kolodzey, S.-H. Chen, C.-R. Chang, Y. Tserkovnyak, B. K. Nikolić, and J. Q. Xiao,
*Spin-polarized transport and dynamics in magnetic tunneling structures*, IEEE Transactions on Magnetics**45**, 3434 (2009). [PDF]

## 2008

- R. L. Dragomirova, L. P. Zarbo, and B. K. Nikolić,
*Spin and charge shot noise in mesoscopic spin Hall systems*, EPL (Europhysics Letters)**84**, 37004 (2008). [PDF]

- T. Moriyama, R. Cao, X. Fan, G. Xuan, B. K. Nikolić, Y. Tserkovnyak, J. Kolodzey, and J. Q. Xiao,
*Tunnel barrier enhanced voltage signal generated by magnetization precession of a single ferromagnetic layer*, Phys. Rev. Lett.**100**, 067602 (2008). [PDF]

## 2007

- L. P. Zarbo and B. K. Nikolić,
*Spatial distribution of local currents of massless Dirac fermions in quantum transport through graphene nanoribbons*, EPL (Europhysics Letters)**80**, 47001 (2007). [PDF] - R. L. Dragomirova and B. K. Nikolić,
*Shot noise of spin-polarized charge currents as a probe of spin coherence in spin-orbit coupled nanostructures*, Phys. Rev. B**75**, 085328 (2007). [PDF] - B. K. Nikolić and L. P. Zarbo,
*Extrinsically vs. intrinsically driven spin Hall effect in disordered mesoscopic multiterminal bars*, EPL (Europhysics Letters)**77**, 47004 (2007). [PDF]

## 2006

- A. N. Tahvildar-Zadeh, J. K. Freericks, and B. K. Nikolić,
*Thouless energy as a unifying concept for Josephson junctions tuned through the Mott metal-insulator transition*, Phys. Rev. B**73**, 184515 (2006).[PDF]

- B. K. Nikolić, L. P. Zarbo, and S. Souma,
*Imaging mesoscopic spin Hall fow: Spatial distribution of local spin currents and spin densities in and out of multiterminal spin-orbit coupled semiconductor nanostructures*, Phys. Rev. B**73**, 075303 (2006). [PDF]

## 2005

- B. K. Nikolić, L. P. Zarbo, and S. Souma,
*Mesoscopic spin Hall effect in multiprobe spin-orbit coupled ballistic semiconductor bridges*, Phys. Rev. B**72**, 075361 (2005). [PDF]

- B. K. Nikolić, L. P. Zarbo, and S. Welack,
*Transverse spin-orbit force in the spin Hall effect in ballistic quantum wires*, Phys. Rev. B**72**, 075335 (2005). [PDF]

- B. K. Nikolić, S. Souma, L. P. Zarbo, and J. Sinova,
*Nonequilibrium spin Hall accumulation in ballistic semiconductor nanostructures*, Phys. Rev. Lett.**95**, 046601 (2005). [PDF]

- J. K. Freericks, A. N. Tahvildar-Zadeh, B. K. Nikolić,
*Use of a generalized Thouless energy in describing transport properties of Josephson junctions*, IEEE Trans. Appl. Supercond.**15**, 896 (2005). [PDF]

- B. K. Nikolić and S. Souma,
*Decoherence of transported spin in multichannel spin-orbit coupled spintronic devices: Scattering approach to spin density matrix from the ballistic to the localized regime*, Phys. Rev. B**71**, 195328 (2005). [PDF]

- S. Souma and B. K. Nikolić,
*Spin Hall current driven by quantum interferences in mesoscopic Rashba rings*, Phys. Rev. Lett.**94**, 106602 (2005). [PDF]

- B. K. Nikolić and R. L. Dragomirova,
*Quantum transparency of Anderson insulator junctions: Statistics of transmission eigenvalues, shot noise, and proximity conductance*, Phys. Rev. B**71**, 045308 (2005). [PDF]

## 2004

- S. Souma and B. K. Nikolić,
*Modulating unpolarized current in quantum spintronics: Visibility of spin-interference effects in multichannel Aharonov-Casher mesoscopic rings*, Phys. Rev. B**70**, 195346 (2004). [PDF]

## 2003

- J. K. Freericks, B. K. Nikolić, and P. Miller,
*Superconductor-correlated metal-superconductor Josephson junctions: An optimized class for high speed digital electronics*, IEEE Trans. Appl. Supercond.**13**, 1089 (2003). [PDF]

- V. Dobrosavljevic, A. A. Pastor, and B. K. Nikolić,
*Typical medium theory of Anderson localization: A local order parameter approach to strong disorder effects*, EPL (Europhysics Letters)**62**, 76 (2003). [PDF]

- J. K. Freericks, B. K. Nikolić, and P. Miller,
*Temperature dependence of superconductor-correlated metal-superconductor Josephson junctions*, Appl. Phys. Lett.**82**, 970 (2003). [PDF]

## 2002

- B. K. Nikolić and V. Z. Cerovski,
*Structure of quantum disordered wave functions: weak localization, far tails, and mesoscopic transport*, Euro. Phys. J. B**30**, 227 (2002). [PDF]

- B. K. Nikolić,
*Quantum transport through mesoscopic disordered interfaces, junctions, and multilayers*, J. Phys.: Condens. Matter**14**, 7871 (2002). [PDF]

- B. K. Nikolić, J. K. Freericks, and P. Miller,
*Suppression of the "quasiclassical" proximity gap in correlated-metal-superconductor structures*, Phys. Rev. Lett.**88**, 077002 (2002). [PDF]

- J. K. Freericks, B. K. Nikolić, and P. Miller,
*Optimizing the speed of a Josephson junction with dynamical mean-field theory*, Int. J. Mod. Phys. B**16**, 531 (2002) (review article). [PDF]

- B. K. Nikolić, J. K. Freericks, and P. Miller,
*Equilibrium properties of double-screened-dipole-barrier SINIS Josephson junctions*, Phys. Rev. B**65**, 064529 (2002). [PDF]

- B. K. Nikolić,
*Quest for rare events in mesoscopic disordered metals*, Phys. Rev. B**65**, 012201 (2002). [PDF]

## 2001

- B. K. Nikolić, J. K. Freericks, and P. Miller,
*Intrinsic reduction of Josephson critical current in short ballistic SNS weak links*, Phys. Rev. B**64**, 212507 (2001). [PDF]

- B. K. Nikolić,
*Deconstructing Kubo formula usage: exact conductance of a mesoscopic system from weak to strong disorder limit*, Phys. Rev. B**64**, 165303 (2001). [PDF]

- J. K. Freericks, B. K. Nikolić, and P. Miller,
*Tuning a Josephson junction through a quantum critical point*, Phys. Rev. B**64**, 054511 (2001). [PDF]

- B. K. Nikolić,
*Statistical properties of eigenstates in three-dimensional mesoscopic systems with off-diagonal or diagonal disorder*, Phys. Rev. B**64**, 014203 (2001). [PDF]

- B. K. Nikolić and P. B. Allen,
*Resistivity of a metal between the Boltzmann transport regime and the Anderson transition*, Phys. Rev. B**63**, 020201(R) (2001). [PDF]

## 2000

- B. K. Nikolić and P. B. Allen,
*Quantum transport in ballistic conductors: transition from conductance quantization to resonant tunneling*, J. Phys.: Condens. Matter**12**, 9629 (2000). [PDF]

## 1999

- P. F. Henning, C. C. Homes, S. Maslov, G. L. Carr, D. N. Basov, B. K. Nikolić, and M. Strongin,
*Infrared studies of the onset of conductivity in ultrathin Pb films*, Phys. Rev. Lett.**83**, 4880 (1999). [PDF] - B. K. Nikolić and P. B. Allen,
*Electron transport through a circular constriction*, Phys. Rev. B.**60**, 3963 (1999). [PDF]