arXiv subjects

G. Klimeck

Publications and source records attributed to G. Klimeck.

14 recordsLinked to original sources

arXiv2016

Quantum Simulation of the Hubbard Model with Dopant Atoms in Silicon

In quantum simulation, many-body phenomena are probed in controllable quantum systems. Recently, simulation of Bose-Hubbard Hamiltonians using cold atoms revealed previously hidden local correlations. However, fermionic many-body Hubbard phenomena such as unconventional superconductivity and spin liquids are more difficult to simulate using cold atoms. To date the required single-site measurements and cooling remain problematic, while only ensemble measurements have been achieved. Here we simulate a two-site Hubbard Hamiltonian at low effective temperatures with single-site resolution using subsurface dopants in silicon. We measure quasiparticle tunneling maps of spin-resolved states with atomic resolution, finding interference processes from which the entanglement entropy and Hubbard interactions are quantified. Entanglement, determined by spin and orbital degrees of freedom, increases with increasing covalent bond length. We find separation-tunable Hubbard interaction strengths that are suitable for simulating strongly correlated phenomena in larger arrays of dopants, establishing dopants as a platform for quantum simulation of the Hubbard model.

cond-mat.mes-hall↗

arXiv2015

Büttiker probes for dissipative phonon quantum transport in semiconductor nanostructures

Theoretical prediction of phonon transport in modern semiconductor nanodevices requires atomic resolution of device features and quantum transport models covering coherent and incoherent effects. The nonequilibrium Green's function method (NEGF) is known to serve this purpose very well, but is numerically very expensive. This work extends the very efficient Büttiker probe concept to phonon NEGF and discusses all implications of this method. Büttiker probe parameters are presented that reproduce within NEGF experimental phonon conductances of Si and Ge between 10K and 1000K. Results of this method in SiGe heterojunctions illustrate the impact of interface relaxation on the device heat conductance and the importance of inelastic scattering for the phonon distribution.

cond-mat.mtrl-sci↗

arXiv2015

Spatially Resolving Valley Quantum Interference of a Donor in Silicon

Electron and nuclear spins of donor ensembles in isotopically pure silicon experience a vacuum-like environment, giving them extraordinary coherence. However, in contrast to a real vacuum, electrons in silicon occupy quantum superpositions of valleys in momentum space. Addressable single-qubit and two-qubit operations in silicon require that qubits are placed near interfaces, modifying the valley degrees of freedom associated with these quantum superpositions and strongly influencing qubit relaxation and exchange processes. Yet to date, spectroscopic measurements only indirectly probe wavefunctions, preventing direct experimental access to valley population, donor position, and environment. Here we directly probe the probability density of single quantum states of individual subsurface donors, in real space and reciprocal space, using scanning tunneling spectroscopy. We directly observe quantum mechanical valley interference patterns associated with linear superpositions of valleys in the donor ground state. The valley population is found to be within $5 \%$ of a bulk donor when $2.85\pm0.45$ nm from the interface, indicating that valley perturbation-induced enhancement of spin relaxation will be negligible for depths $>3$ nm. The observed valley interference will render two-qubit exchange gates sensitive to atomic-scale variations in positions of subsurface donors. Moreover, these results will also be of interest to emerging schemes proposing to encode information directly in valley polarization.

cond-mat.mes-hall↗

arXiv2015

Interface-induced heavy-hole/light-hole splitting of acceptors in silicon

The energy spectrum of spin-orbit coupled states of individual sub-surface boron acceptor dopants in silicon have been investigated using scanning tunneling spectroscopy (STS) at cryogenic temperatures. The spatially resolved tunnel spectra show two resonances which we ascribe to the heavy- and light-hole Kramers doublets. This type of broken degeneracy has recently been argued to be advantageous for the lifetime of acceptor-based qubits [Phys. Rev. B 88 064308 (2013)]. The depth dependent energy splitting between the heavy- and light-hole Kramers doublets is consistent with tight binding calculations, and is in excess of 1 meV for all acceptors within the experimentally accessible depth range (< 2 nm from the surface). These results will aid the development of tunable acceptor-based qubits in silicon with long coherence times and the possibility for electrical manipulation.

cond-mat.mes-hall↗

arXiv2013

Efficient and realistic device modeling from atomic detail to the nanoscale

As semiconductor devices scale to new dimensions, the materials and designs become more dependent on atomic details. NEMO5 is a nanoelectronics modeling package designed for comprehending the critical multi-scale, multi-physics phenomena through efficient computational approaches and quantitatively modeling new generations of nanoelectronic devices as well as predicting novel device architectures and phenomena. This article seeks to provide updates on the current status of the tool and new functionality, including advances in quantum transport simulations and with materials such as metals, topological insulators, and piezoelectrics.

cond-mat.mes-hall↗

arXiv2013

Spin-valley lifetimes in a silicon quantum dot with tunable valley splitting

Although silicon is a promising material for quantum computation, the degeneracy of the conduction band minima (valleys) must be lifted with a splitting sufficient to ensure formation of well-defined and long-lived spin qubits. Here we demonstrate that valley separation can be accurately tuned via electrostatic gate control in a metal-oxide-semiconductor quantum dot, providing splittings spanning 0.3 - 0.8 meV. The splitting varies linearly with applied electric field, with a ratio in agreement with atomistic tight-binding predictions. We demonstrate single-shot spin readout and measure the spin relaxation for different valley configurations and dot occupancies, finding one-electron lifetimes exceeding 2 seconds. Spin relaxation occurs via phonon emission due to spin-orbit coupling between the valley states, a process not previously anticipated for silicon quantum dots. An analytical theory describes the magnetic field dependence of the relaxation rate, including the presence of a dramatic rate enhancement (or hot-spot) when Zeeman and valley splittings coincide.

cond-mat.mes-hall↗

arXiv2011

New tools for the direct characterisation of FinFETs

This paper discusses how classical transport theories such as the thermionic emission, can be used as a powerful tool for the study and the understanding of the most complex mechanisms of transport in Fin Field Effect Transistors (FinFETs). By means of simple current and differential conductance measurements, taken at different temperatures and different gate voltages ($V_G$'s), it is possible to extrapolate the evolution of important parameters such as the spatial region of transport and the height of thermionic barrier at the centre of the channel. Furthermore, if the measurements are used in conjunction with simulated data, it becomes possible to also extract the interface trap density of these objects. These are important results, also because these parameters are extracted directly on state-of-the-art devices and not in specially-designed test structures. The possible characterisation of the different regimes of transport that can arise in these ultra-scaled devices having a doped or an undoped channel are also discussed. Examples of these regimes are, full body inversion and weak body inversion. Specific cases demonstrating the strength of the thermionic tool are discussed in sections \ref{sec:II}, \ref{sec:III} and \ref{sec:IV}. This text has been designed as a comprehensive overview of 4 related publications (see Ref. [2-5]) and has been submitted as a book chapter in Ref. [6]).

cond-mat.mes-hall↗

arXiv2011

Dopant metrology in advanced FinFETs

Ultra-scaled FinFET transistors bear unique fingerprint-like device-to-device differences attributed to random single impurities. This paper describes how, through correlation of experimental data with multimillion atom tight-binding simulations using the NEMO 3-D code, it is possible to identify the impurity's chemical species and determine their concentration, local electric field and depth below the Si/SiO$_{\mathrm{2}}$ interface. The ability to model the excited states rather than just the ground state is the critical component of the analysis and allows the demonstration of a new approach to atomistic impurity metrology.

cond-mat.mes-hall↗

arXiv2011

Lifetime enhanced transport in silicon due to spin and valley blockade

We report the observation of Lifetime Enhanced Transport (LET) based on perpendicular valleys in silicon by transport spectroscopy measurements of a two-electron system in a silicon transistor. The LET is manifested as a peculiar current step in the stability diagram due to a forbidden transition between an excited state and any of the lower energy states due perpendicular valley (and spin) configurations, offering an additional current path. By employing a detailed temperature dependence study in combination with a rate equation model, we estimate the lifetime of this particular state to exceed 48 ns. The two-electron spin-valley configurations of all relevant confined quantum states in our device were obtained by a large-scale atomistic tight-binding simulation. The LET acts as a signature of the complicated valley physics in silicon; a feature that becomes increasingly important in silicon quantum devices.

cond-mat.mes-hall↗

arXiv2011

Electric field reduced charging energies and two-electron bound excited states of single donors in silicon

We present atomistic simulations of the D0 to D- charging energies of a gated donor in silicon as a function of applied fields and donor depths and find good agreement with experimental measure- ments. A self-consistent field large-scale tight-binding method is used to compute the D- binding energies with a domain of over 1.4 million atoms, taking into account the full bandstructure of the host, applied fields, and interfaces. An applied field pulls the loosely bound D- electron towards the interface and reduces the charging energy significantly below the bulk values. This enables formation of bound excited D-states in these gated donors, in contrast to bulk donors. A detailed quantitative comparison of the charging energies with transport spectroscopy measurements with multiple samples of arsenic donors in ultra-scaled FinFETs validates the model results and provides physical insights. We also report measured D-data showing for the first time the presence of bound D-excited states under applied fields.

cond-mat.mes-hall↗

arXiv2011

Engineered valley-orbit splittings in quantum confined nanostructures in silicon

An important challenge in silicon quantum electronics in the few electron regime is the potentially small energy gap between the ground and excited orbital states in 3D quantum confined nanostructures due to the multiple valley degeneracies of the conduction band present in silicon. Understanding the "valley-orbit" (VO) gap is essential for silicon qubits, as a large VO gap prevents leakage of the qubit states into a higher dimensional Hilbert space. The VO gap varies considerably depending on quantum confinement, and can be engineered by external electric fields. In this work we investigate VO splitting experimentally and theoretically in a range of confinement regimes. We report measurements of the VO splitting in silicon quantum dot and donor devices through excited state transport spectroscopy. These results are underpinned by large-scale atomistic tight-binding calculations involving over 1 million atoms to compute VO splittings as functions of electric fields, donor depths, and surface disorder. The results provide a comprehensive picture of the range of VO splittings that can be achieved through quantum engineering.

cond-mat.mes-hall↗

arXiv2009

Spin-orbit splittings in Si/SiGe quantum wells

We present a calculation of the wavevector-dependent subband level splitting from spin-orbit coupling in Si/SiGe quantum wells. We first use the effective-mass approach, where the splittings are parameterized by separating contributions from the Rashba and Dresselhaus terms. We then determine the parameters by fitting tight-binding numerical results obtained using the quantitative nanoelectronic modeling tool, NEMO-3D. We describe the relevant parameters as a function of applied electric field and well width in our numerical simulations. For a silicon membrane, we find the bulk Rashba parameter to be linear in field, $α= α^1E_z$ with $α^1 \simeq 2\times$ 10 $^{-5}$nm$^{-2}$. The dominant contribution to the spin-orbit splitting is from Dresselhaus-type terms, and the magnitude for a typical flat SiGe/Si/SiGe quantum well can be as high as 1$μ$eV.

cond-mat.mes-hall↗

arXiv2008

Valley splitting in Si quantum dots embedded in SiGe

We examine energy spectra of Si quantum dots embedded into Si_{0.75}Ge_{0.25} buffers using atomistic numerical calculations for dimensions relevant to qubit implementations. The valley degeneracy of the lowest orbital state is lifted and valley splitting fluctuates with monolayer frequency as a function of the dot thickness. For dot thicknesses <6 nm valley splitting is found to be >150 ueV. Using the unique advantage of atomistic calculations we analyze the effect of buffer disorder on valley splitting. Disorder in the buffer leads to the suppression of valley splitting by a factor of 2.5, the splitting fluctuates with ~20 ueV for different disorder realizations. Through these simulations we can guide future experiments into regions of low device-to-device fluctuations.

cond-mat.mes-hall↗

arXiv2005

A Three-dimensional simulation study of the performance of Carbon Nanotube Field Effect Transistors with doped reservoirs and realistic geometry

In this work, we simulate the expected device performance and the scaling perspectives of Carbon nanotube Field Effect Transistors (CNT-FETs), with doped source and drain extensions. The simulations are based on the self-consistent solution of the 3D Poisson-Schroedinger equation with open boundary conditions, within the Non-Equilibrium Green's Function formalism, where arbitrary gate geometry and device architecture can be considered. The investigation of short channel effects for different gate configurations and geometry parameters shows that double gate devices offer quasi ideal subthreshold slope and DIBL without extremely thin gate dielectrics. Exploration of devices with parallel CNTs show that On currents per unit width can be significantly larger than the silicon counterpart, while high-frequency performance is very promising.

cond-mat.mes-hall↗