Complex absorbing potential based Lorentzian fitting scheme and time dependent quantum transport

Xie, Hang; Kwok, YanHo; Jiang, Feng; Zheng, Xiao; Chen, Guanhua

doi:10.1063/1.4898729

Cited by 26 publications

(30 citation statements)

References 35 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The time-dependent transport characteristics of the metal-silica-metal junction are characterized via the non-equilibrium Green’s function method (NEGF) as developed and implemented by Chen and colleagues 21 , 34 – 37 . In TD-NEGF the current is obtained by solving the Liouville von Neumann equation for the single-particle electronic reduced density matrix in the presence of leads.…”

Section: Methodsmentioning

confidence: 99%

See 1 more Smart Citation

Stark control of electrons along nanojunctions

et al. 2018

Self Cite

View full text Add to dashboard Cite

Ultrafast control of currents on the nanoscale is essential for future innovations in nanoelectronics. Recently it was experimentally demonstrated that strong non-resonant few-cycle 4 fs laser pulses can be used to induce phase-controllable currents along gold–silica–gold nanojunctions in the absence of a bias voltage. However, since the effect depends on a highly non-equilibrium state of matter, its microscopic origin is unclear and the subject of recent controversy. Here we present atomistically detailed (time-dependent non-equilibrium Green’s function) electronic transport simulations that recover the main experimental observations and offer a simple intuitive picture of the effect. The photoinduced currents are seen to arise due to a difference in effective silica-metal coupling for negative and positive field amplitudes induced by lasers with low temporal symmetry. These insights can be employed to interpret related experiments, and advance our ability to control electrons in matter using lasers.

show abstract

Section: Methodsmentioning

confidence: 99%

“…The employed method combines time-dependent density functional theory and NEGF 21 , 34 – 37 . Specifically, ref.…”

Section: Methodsmentioning

confidence: 99%

Stark control of electrons along nanojunctions

et al. 2018

Self Cite

View full text Add to dashboard Cite

show abstract

“…TBtrans k-points grid includes only Γ). Injectced currents are drained into semi-infinite electrodes along y and absorbed along x using complex absorbing potentials (CAP) [36,37].…”

Section: Computational Detailsmentioning

confidence: 99%

Electron Transport in Nanoporous Graphene: Probing the Talbot Effect

et al. 2018

View full text Add to dashboard Cite

Designing platforms to control phase-coherence and interference of electron waves is a cornerstone for future quantum electronics, computing or sensing. Nanoporous graphene (NPG) consisting of linked graphene nanoribbons has recently been fabricated using molecular precursors and bottom-up assembly [Moreno et al, Science 360, 199 (2018)] opening an avenue for controlling the electronic current in a two-dimensional material. By simulating electron transport in real-sized NPG samples we predict that electron waves injected from the tip of a scanning tunneling microscope (STM) behave similarly to photons in coupled waveguides, displaying a Talbot interference pattern. We link the origins of this effect to the band structure of the NPG and further demonstrate how this pattern may be mapped out by a second STM probe. We enable atomistic parameter-free calculations beyond the 100 nm scale by developing a new multi-scale method where first-principles density functional theory regions are seamlessly embedded into a large-scale tight-binding. arXiv:1811.07576v1 [cond-mat.mes-hall]

show abstract

“…Computer simulations often face the scenarios where the electrons are being emitted out of the computational domain, e.g., the photoionization process. Recently there has been a great deal of renewed interest in such issues in the quantum transport problem [3], optical response of molecules [4], open quantum systems [5], etc.…”

Section: Introductionmentioning

confidence: 99%

Absorbing boundary conditions for the time-dependent Schrödinger-type equations inR3

2020

Phys. Rev. E

View full text Add to dashboard Cite

Absorbing boundary conditions are presented for three-dimensional time-dependent Schrödingertype of equations as a means to reduce the cost of the quantum-mechanical calculations. The boundary condition is first derived from a semi-discrete approximation of the Schrödinger equation with the advantage that the resulting formulas are automatically compatible with the finitedifference scheme and no further discretization is needed in space. The absorbing boundary condition is expressed as a discrete Dirichlet-to-Neumann (DtN) map, which can be further approximated in time by using rational approximations of the Laplace transform to enable a more efficient implementation. This approach can be applied to domains with arbitrary geometry. The stability of the zeroth order and first order absorbing boundary conditions is proved. We tested the boundary conditions on benchmark problems. The effectiveness is further verified by a time-dependent Hartree-Fock model with Skyrme interactions. The accuracy in terms of energy and nucleon density is examined as well.

show abstract

Complex absorbing potential based Lorentzian fitting scheme and time dependent quantum transport

Cited by 26 publications

References 35 publications

Stark control of electrons along nanojunctions

Stark control of electrons along nanojunctions

Electron Transport in Nanoporous Graphene: Probing the Talbot Effect

Absorbing boundary conditions for the time-dependent Schrödinger-type equations inR3

Contact Info

Product

Resources

About