283 citations · 2.3k across the 60 of their papers we have counts for
11 papers · 1 filter
Physical mechanisms of interface-mediated intervalley coupling in Si
A. L. Saraiva, M. J. Calderón, Xuedong Hu +2
The conduction band degeneracy in Si is detrimental to quantum computing based on spin qubits, for which a nondegenerate ground orbital state is desirable. This degeneracy is lifte…
Conduction band tight-binding description for silicon applied to phosphorous donors
A. S. Martins, Timothy B. Boykin, Gerhard Klimeck +1
A tight-binding parametrization for silicon, optimized to correctly reproduce effective masses as well as the reciprocal space positions of the conduction-band minima, is presented…
Electric field driven donor-based charge qubits in semiconductors
Belita Koiller, Xuedong Hu, S. Das Sarma
We investigate theoretically donor-based charge qubit operation driven by external electric fields. The basic physics of the problem is presented by considering a single electron b…
Effect of post-growth annealing on the optical properties of InAs/GaAs quantum dots: A tight-binding study
R. Santoprete, P. Kratzer, M. Scheffler +2
We present an atomistic study of the strain field, the one-particle electronic spectrum and the oscillator strength of the fundamental optical transition in chemically disordered I…
Silicon-based spin and charge quantum computation
Belita Koiller, Xuedong Hu, R. B. Capaz +2
Silicon-based quantum-computer architectures have attracted attention because of their promise for scalability and their potential for synergetically utilizing the available resour…
Silicon-based spin quantum computation and the shallow donor exchange gate
Belita Koiller, R. B. Capaz, X. Hu +1
Proposed silicon-based quantum-computer architectures have attracted attention because of their promise for scalability and their potential for synergetically utilizing the availab…
Tight-binding study of the influence of the strain on the electronic properties of InAs/GaAs quantum dots
R. Santoprete, Belita Koiller, R. B. Capaz +3
We present an atomistic investigation of the influence of strain on the electronic properties of quantum dots (QD's) within the empirical tight-binding (ETB) model…
Electromechanical Effects in Carbon Nanotubes
M. Verissimo-Alves, Belita Koiller, H. Chacham +1
We perform ab initio calculations of charged graphene and single-wall carbon nanotubes (CNTs). A wealth of electromechanical behaviors is obtained: (1) Both nanotubes and graphene…
Atomistic Description of Shallow Levels in Semiconductors
A. S. Martins, J. G. Menchero, R. B. Capaz +1
The wave function and binding energy for shallow donors in GaAs are calculated within the tight binding (TB) approach, for supercells containing up to two million atoms. The result…
An elastic model for the In-In correlations in In(x)Ga(1-x)As semiconductor alloys
A. S. Martins, Belita Koiller, R. B. Capaz
Deviations from randomicity in In(x)Ga(1-x) As semiconductor alloys induced by elastic effects are investigated within the Keating potential. Our model is based on Monte Carlo simu…
Polarons in Carbon Nanotubes
Marcos Verissimo-Alves, R. B. Capaz, Belita Koiller +2
We use ab initio total-energy calculations to predict the existence of polarons in semiconducting carbon nanotubes (CNTs). We find that the CNTs' band edge energies vary linearly a…