arXiv subjects

Belita Koiller

Publications and source records attributed to Belita Koiller.

At least 55 records · Page 3Linked to original sources

arXiv2006

The magnetic susceptibility of exchange-disordered antiferromagnetic finite chains

The low-temperature behavior of the static magnetic susceptibility $χ(T)$ of exchange-disordered antiferromagnetic spin chains is investigated. It is shown that for a relatively small and even number of spins in the chain, two exchange distributions which are expected to occur in nanochains of P donors in silicon lead to qualitatively distinct behaviors of the low-temperature susceptibility. As a consequence, magnetic measurements might be useful to characterize whether a given sample meets the requirements compatible with Kane's original proposalfor the exchange gates in a silicon-based quantum computer hardware. We also explore the dependence of $χ(T)$ on the number of spins in the chain as it increases towards the thermodynamic limit, where any degree or distribution of disorder leads to the same low-temperature scaling behavior. We identify a crossover regime where the two distributions of disorder may not be clearly differentiated, but the characteristic scaling of the thermodynamic limit has not yet been reached.

cond-mat.stat-mech↗

arXiv2005

Electric field driven donor-based charge qubits in semiconductors

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 bound to a shallow-donor pair in GaAs: This system is closely related to the homopolar molecular ion H_2^+. In the case of Si, heteropolar configurations such as PSb^+ pairs are also considered. For both homopolar and heteropolar pairs, the multivalley conduction band structure of Si leads to short-period oscillations of the tunnel-coupling strength as a function of the inter-donor relative position. However, for any fixed donor configuration, the response of the bound electron to a uniform electric field in Si is qualitatively very similar to the GaAs case, with no valley quantum interference-related effects, leading to the conclusion that electric field driven coherent manipulation of donor-based charge qubits is feasible in semiconductors.

cond-mat.mtrl-sci↗

arXiv2005

Effect of post-growth annealing on the optical properties of InAs/GaAs quantum dots: A tight-binding study

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 In$_{x}$Ga$_{1-x}$As pyramidal quantum dots (QDs). Interdiffusion across the interfaces of an originally ``pure'' InAs dot buried in a GaAs matrix is simulated through a simple model, leading to atomic configurations where the abrupt hetero-interfaces are replaced by a spatially inhomogeneous composition profile $x$. Structural relaxation and the strain field calculations are performed through the Keating valence force field (VFF) model, while the electronic and optical properties are determined within the empirical tight-binding (ETB) approach. We analyze the relative impact of two different aspects of the chemical disorder, namely: (i) the effect of the strain relief inside the QD, and (ii) the purely chemical effect due to the group-III atomic species interdiffusion. We find that these effects may be quantitatively comparable, significantly affecting the electronic and optical properties of the dot. Our results are discussed in comparison with recent luminescence studies of intermixed QDs.

cond-mat.mtrl-sci↗

arXiv2005

Silicon-based spin and charge quantum computation

Silicon-based quantum-computer architectures have attracted attention because of their promise for scalability and their potential for synergetically utilizing the available resources associated with the existing Si technology infrastructure. Electronic and nuclear spins of shallow donors (e.g. phosphorus) in Si are ideal candidates for qubits in such proposals due to the relatively long spin coherence times. For these spin qubits, donor electron charge manipulation by external gates is a key ingredient for control and read-out of single-qubit operations, while shallow donor exchange gates are frequently invoked to perform two-qubit operations. More recently, charge qubits based on tunnel coupling in P$_2^+$ substitutional molecular ions in Si have also been proposed. We discuss the feasibility of the building blocks involved in shallow donor quantum computation in silicon, taking into account the peculiarities of silicon electronic structure, in particular the six degenerate states at the conduction band edge. We show that quantum interference among these states does not significantly affect operations involving a single donor, but leads to fast oscillations in electron exchange coupling and on tunnel-coupling strength when the donor pair relative position is changed on a lattice-parameter scale. These studies illustrate the considerable potential as well as the tremendous challenges posed by donor spin and charge as candidates for qubits in silicon.

cond-mat.mtrl-sci↗

arXiv2004

Charge qubits in semiconductor quantum computer architectures: Tunnel coupling and decoherence

We consider charge qubits based on shallow donor electron states in silicon and coupled quantum dots in GaAs. Specifically, we study the feasibility of P$_2^+$ charge qubits in Si, focusing on single qubit properties in terms of tunnel coupling between the two phosphorus donors and qubit decoherence caused by electron-phonon interaction. By taking into consideration the multi-valley structure of the Si conduction band, we show that inter-valley quantum interference has important consequences for single-qubit operations of P$_2^+$ charge qubits. In particular, the valley interference leads to a tunnel-coupling strength distribution centered around zero. On the other hand, we find that the Si bandstructure does not dramatically affect the electron-phonon coupling and consequently, qubit coherence. We also critically compare charge qubit properties for Si:P$_2^+$ and GaAs double quantum dot quantum computer architectures.

cond-mat.mes-hall↗

arXiv2004

Spin quantum computation in silicon nanostructures

Proposed silicon-based quantum-computer architectures have attracted attention because of their promise for scalability and their potential for synergetically utilizing the available resources associated with the existing Si technology infrastructure. Electronic and nuclear spins of shallow donors (e.g. phosphorus) in Si are ideal candidates for qubits in such proposals because of their long spin coherence times due to their limited interactions with their environments. For these spin qubits, shallow donor exchange gates are frequently invoked to perform two-qubit operations. We discuss in this review a particularly important spin decoherence channel, and bandstructure effects on the exchange gate control. Specifically, we review our work on donor electron spin spectral diffusion due to background nuclear spin flip-flops, and how isotopic purification of silicon can significantly enhance the electron spin dephasing time. We then review our calculation of donor electron exchange coupling in the presence of degenerate silicon conduction band valleys. We show that valley interference leads to orders of magnitude variations in electron exchange coupling when donor configurations are changed on an atomic scale. These studies illustrate the substantial potential that donor electron/nuclear spins in silicon have as candidates for qubits and simultaneously the considerable challenges they pose. In particular, our work on spin decoherence through spectral diffusion points to the possible importance of isotopic purification in the fabrication of scalable solid state quantum computer architectures. We also provide a critical comparison between the two main proposed spin-based solid state quantum computer architectures, namely, shallow donor bound states in Si and localized quantum dot states in GaAs.

cond-mat.mes-hall↗

arXiv2004

Shallow donor wavefunctions and donor-pair exchange in silicon: Ab initio theory and floating-phase Heitler-London approach

Electronic and nuclear spins of shallow donors in Silicon are attractive candidates for qubits in quantum computer proposals. Shallow donor exchange gates are frequently invoked to preform two-qubit operations in such proposals. We study shallow donor electron properties in Si within the Kohn-Luttinger envelope function approach, incorporating the full Bloch states of the six band edges of Si conduction band, obtained from {\it ab initio} calculations within the density-functional and pseudopotential frameworks. Inter-valley interference between the conduction-band-edge states of Si leads to oscillatory behavior in the charge distribution of one-electron bound states and in the exchange coupling in two-electron states. The behavior in the donor electron charge distribution is strongly influenced by interference from the plane-wave and periodic parts of the Bloch functions. For two donors, oscillations in the exchange coupling calculated within the Heitler-London (HL) approach are due to the plane-wave parts of the Bloch functions alone, which are pinned to the impurity sites. The robustness of this result is assessed by relaxing the phase pinning to the donor sites. We introduce a more general theoretical scheme, the floating-phase HL, from which the previously reported donor exchange oscillatory behavior is qualitatively and quantitatively confirmed. The floating-phase formalism provides a ``handle'' on how to theoretically anticipate the occurrence of oscillatory behavior in electronic properties associated with electron bound states in more general confining potentials, such as in quantum dots.

cond-mat.mes-hall↗

arXiv2004

Silicon-based spin quantum computation and the shallow donor exchange gate

cond-mat.mtrl-sci↗

arXiv2003

Tight-binding study of the influence of the strain on the electronic properties of InAs/GaAs quantum dots

We present an atomistic investigation of the influence of strain on the electronic properties of quantum dots (QD's) within the empirical $s p^{3} s^{*}$ tight-binding (ETB) model with interactions up to 2nd nearest neighbors and spin-orbit coupling. Results for the model system of capped pyramid-shaped InAs QD's in GaAs, with supercells containing $10^{5}$ atoms are presented and compared with previous empirical pseudopotential results. The good agreement shows that ETB is a reliable alternative for an atomistic treatment. The strain is incorporated through the atomistic valence force field model. The ETB treatment allows for the effects of bond length and bond angle deviations from the ideal InAs and GaAs zincblende structure to be selectively removed from the electronic-structure calculation, giving quantitative information on the importance of strain effects on the bound state energies and on the physical origin of the spatial elongation of the wave functions. Effects of dot-dot coupling have also been examined to determine the relative weight of both strain field and wave function overlap.

cond-mat.mtrl-sci↗

arXiv2003

Electric Field Control of Shallow Donor Impurities in Silicon

We present a tight-binding study of donor impurities in Si, demonstrating the adequacy of this approach for this problem by comparison with effective mass theory and experimental results. We consider the response of the system to an applied electric field: donors near a barrier material and in the presence of an uniform electric field may undergo two different ionization regimes according to the distance of the impurity to the Si/barrier interface. We show that for impurities ~ 5 nm below the barrier, adiabatic ionization is possible within switching times of the order of one picosecond, while for impurities ~ 10 nm or more below the barrier, no adiabatic ionization may be carried out by an external uniform electric field. Our results are discussed in connection with proposed Si:P quantum computer architectures.

cond-mat↗

arXiv2003

Disentangling the exchange coupling of entangled donors in the Si quantum computer architecture

We develop a theory for micro-Raman scattering by single and coupled two-donor states in silicon. We find the Raman spectra to have significant dependence on the donor exchange splitting and the relative spatial positions of the two donor sites. In particular, we establish a strong correlation between the temperature dependence of the Raman peak intensity and the interdonor exchange coupling. Micro-Raman scattering can therefore potentially become a powerful tool to measure interqubit coupling in the development of a Si quantum computer architecture.

cond-mat.mes-hall↗

arXiv2002

Silicon conduction-band effects on shallow donor wavefunctions and donor-pair exchange: An {\it ab initio} theory

This paper has been withdrawn by the authors. A more complete treatment of the bandstructure effects is forthcoming.

cond-mat.mes-hall↗

arXiv2002

Electromechanical Effects in Carbon Nanotubes

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 expand upon electron injection. (2) Upon hole injection, metallic nanotubes and graphene display a non-monotonic behavior: Upon increasing hole densities, the lattice constant initially contracts, reaches a minimum, and then starts to expand. The hole densities at minimum lattice constants are 0.3 |e|/atom for graphene and between 0.1 and 0.3 |e|/atom for the metallic nanotubes studied. (3)Semiconducting CNTs with small diameters (d <~ 20 A) always expand upon hole injection; (4) Semiconducting CNTs with large diameters (d >~ 20 A) display a behavior intermediate between those of metallic and large-gap CNTs. (5) The strain versus extra charge displays a linear plus power-law behavior, with characteristic exponents for graphene, metallic, and semiconducting CNTs. All these features are physically understood within a simple tight-binding total-energy model.

cond-mat.mtrl-sci↗

arXiv2002

Atomistic Description of Shallow Levels in Semiconductors

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 resulting solutions, coupled with a scaling law, allow extrapolation to the bulk limit. A sharp shallow-deep transition is obtained as the impurity perturbation increases. The model allows investigating the quantitative consistency between the effective mass theory and the TB formalism. Although the calculated binding energies are in excellent agreement, anisotropies and the overall decay obtained in the TB envelope function can not be afforded by the hydrogenlike effective mass prediction.

cond-mat.mtrl-sci↗

arXiv2002

Exchange in silicon-based quantum computer architecture

The silicon-based quantum computer proposal has been one of the intensely pursued ideas during the past three years. Here we calculate the donor electron exchange in silicon and germanium, and demonstrate an atomic-scale challenge for quantum computing in Si (and Ge), as the six (four) conduction band minima in Si (Ge) lead to inter-valley electronic interferences, generating strong oscillations in the exchange splitting of two-donor two-electron states. Donor positioning with atomic scale precision within the unit cell thus becomes a decisive factor in determining the strength of the exchange coupling--a fundamental ingredient for two-qubit operations in a silicon-based quantum computer.

cond-mat.mes-hall↗

arXiv2001

Strain effects on silicon donor exchange: Quantum computer architecture considerations

Proposed Silicon-based quantum computer architectures have attracted attention because of their promise for scalability and their potential for synergetically utilizing the available resources associated with the existing infrastructure of the powerful Si technology. Quantitative understanding of and precise physical control over donor (e.g. Phosphorus) exchange are crucial elements in the physics underlying the proposed Si-based quantum computer hardware. An important potential problem in this context is that inter-valley interference originating from the degeneracy in the Si conduction band edge causes fast oscillations in donor exchange coupling, which imposes significant constraints on the Si quantum computer architecture. In this paper we consider the effect of external strain on Si donor exchange in the context of quantum computer hardware. We study donor electron exchange in uniaxially strained Si, since strain partially lifts the valley degeneracy in the bulk. In particular, we focus on the effects of donor displacements among lattice sites on the exchange coupling, investigating whether inter-valley interference poses less of a problem to exchange coupling of donors in strained Si. We show, using the Kohn-Luttinger envelope function approach, that fast oscillations in exchange coupling indeed disappear for donor pairs that satisfy certain conditions for their relative positions, while in other situations the donor exchange coupling remains oscillatory, with periods close to interatomic spacing. We also comment on the possible role of controlled external strain in the design and fabrication of Si quantum computer architecture.

cond-mat.mes-hall↗

arXiv2001

Polarons in Carbon Nanotubes

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 and the elastic energy increases quadratically with both radial and with axial distortions, leading to the spontaneous formation of polarons. Using a continuum model parametrized by the ab initio calculations, we estimate electron and hole polaron lengths, energies and effective masses and analyze their complex dependence on CNT geometry. Implications of polaron effects on recently observed electro- and opto-mechanical behavior of CNTs are discussed.

cond-mat.mtrl-sci↗

arXiv2000

An elastic model for the In-In correlations in In(x)Ga(1-x)As semiconductor alloys

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 simulations on large (4096 atoms) supercells, performed with two types of boundary conditions: Fully periodic boundary conditions represent the bulk, while periodic boundary conditions along the x and y directions and a free surface in the z direction simulate the epitaxial growth environment. We show that In-In correlations identified in the bulk tend to be enhanced in the epitaxially grown samples.

cond-mat.mtrl-sci↗