Quantum Transport in Gated Dangling-Bond Atomic Wires

Bohloul, S.; Shi, Qing; Wolkow, Robert A.; Guo, Hong

doi:10.1021/acs.nanolett.6b04125

Cited by 29 publications

(14 citation statements)

References 51 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…6 n, o). Here, the fact that the hybridized Si-DB states energies are localized within the gap state of the Si(100):H surface provides adequate conditions to reduce current leakage due to the weak electronic coupling with the substrate 37 , 38 . In these conditions, the running bias of the device may be chosen such that the conducting channel with the gap state is minimized to optimize the lateral electronic conductance.…”

Section: Discussionmentioning

confidence: 99%

A two-dimensional ON/OFF switching device based on anisotropic interactions of atomic quantum dots on Si(100):H

Yengui¹,

Duverger²,

Sonnet³

et al. 2017

Nat Commun

View full text Add to dashboard Cite

Controlling the properties of quantum dots at the atomic scale, such as dangling bonds, is a general motivation as they allow studying various nanoscale processes including atomic switches, charge storage, or low binding energy state interactions. Adjusting the coupling of individual silicon dangling bonds to form a 2D device having a defined function remains a challenge. Here, we exploit the anisotropic interactions between silicon dangling bonds on n-type doped Si(100):H surface to tune their hybridization. This process arises from interactions between the subsurface silicon network and dangling bonds inducing a combination of Jahn–Teller distortions and local charge ordering. A three-pointed star-shaped device prototype is designed. By changing the charge state of this device, its electronic properties are shown to switch reversibly from an ON to an OFF state via local change of its central gap. Our results provide a playground for the study of quantum information at the nanoscale.

show abstract

Section: Discussionmentioning

confidence: 99%

A two-dimensional ON/OFF switching device based on anisotropic interactions of atomic quantum dots on Si(100):H

Yengui¹,

Duverger²,

Sonnet³

et al. 2017

Nat Commun

View full text Add to dashboard Cite

show abstract

“…To validate our silicon computational box with reconstructed and passivated silicon surface , we compare here our DFT and TB results with DFT calculations reported in Ref. [24], where the same configuration was studied. Before this comparison, we note that DBWs suffer both Peierls distortion and dimerization, and/or antiferromagnetic ordering, as discussed by Lee et al [28,29].…”

Section: Dangling Bond Wires On a H:si-(100)-(2×1) Surfacementioning

confidence: 99%

“…We did not carry out the geometry optimization of the model slab. Such optimizations, [10,24,30]. In Table III we report the energy difference between the top of the valence band and the DB states at the principal symmetry points.…”

Section: Dangling Bond Wires On a H:si-(100)-(2×1) Surfacementioning

confidence: 99%

Theory of atomic scale quantum dots in silicon: Dangling bond quantum dots on silicon surface

Delgado

Korkusiński

Hawrylak

2020

Solid State Communications

View full text Add to dashboard Cite

We present a theory and a computational tool, Silicon-Qnano, describing atomic scale quantum dots in silicon. The developed methodology is applied to model dangling bond quantum dots (DBQDs) created on a passivated H:Si-(100)-(2×1) surface by removing a hydrogen atom. The electronic properties of the DBQD are computed by embedding it in a computational box of silicon atoms. The surfaces of the computational box were constructed by using density functional theory as implemented in the Abinit package. The top layer was reconstructed by the formation of Si dimers passivated with H atoms while the bottom layer remained unreconstructed and fully saturated with H atoms. The computational box Hamiltonian was approximated by a tight-binding (TB) Hamiltonian by expanding the electron wave functions as linear combinations of atomic orbitals and fitting the bandstructure to ab-initio results. The parametrized TB Hamiltonian was used to model large finite Si(100) boxes (slabs) with number of atoms exceeding present capabilities of ab-initio calculations. The removal of one hydrogen atom from the reconstructed surface resulted in a DBQD state with a wave function strongly localized around the Si atom and the energy in the silicon bandgap. The DBQD could be charged with zero, one, and two electrons. The Coulomb matrix elements were calculated and the charging energy of a two electron complex in a DBQD obtained.arXiv:1809.08376v2 [cond-mat.mtrl-sci]

show abstract

“…Dangling-bond (db) nanostructures are potential fundamental building blocks for atom-scale electronics [1][2][3][4]. Given the electronic instabilities in one-dimensional systems [5][6][7][8], it is a particular challenge to render db wires metallic and much effort is spent to tune their conductance [9][10][11][12][13] and magnetic properties [14,15].…”

mentioning

confidence: 99%

Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces

et al. 2020

View full text Add to dashboard Cite

Density-functional theory is used to explore the Si(553)-Au surface dynamics. Our study (i) reveals a complex two-stage order-disorder phase transition where with rising temperature first the ×3 order along the Si step edges and, subsequently, the ×2 order of the Au chains is lost, (ii) identifies the transient modification of the electron chemical potential during soft Au chain vibrations as instrumental for disorder at the step edge, and (iii) shows that the transition leads to a self-doping of the Si dangling-bond wire at the step edge. The calculations are corroborated by Raman measurements of surface phonon modes and explain previous electron diffraction, scanning tunneling microscopy, and surface transport data.

show abstract

Quantum Transport in Gated Dangling-Bond Atomic Wires

Cited by 29 publications

References 51 publications

A two-dimensional ON/OFF switching device based on anisotropic interactions of atomic quantum dots on Si(100):H

A two-dimensional ON/OFF switching device based on anisotropic interactions of atomic quantum dots on Si(100):H

Theory of atomic scale quantum dots in silicon: Dangling bond quantum dots on silicon surface

Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces

Contact Info

Product

Resources

About