Related papers: Linear and planar molecules formed by coupled P do…
The ability to control single dopants in solid-state devices has opened the way towards reliable quantum computation schemes. In this perspective it is essential to understand the impact of interfaces and electric fields, inherent to…
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…
We propose a new type of a chiral metamaterial based on an ensemble of artificial molecules formed by three identical quantum-dots in a triangular arrangement. A static magnetic field oriented perpendicular to the plane breaks mirror…
Over the last two decades, prototype devices for future classical and quantum computing technologies have been fabricated, by using scanning tunneling microscopy and hydrogen resist lithography to position phosphorus atoms in silicon with…
Three- and two-level mixing models are proposed to understand the doubling of states at the same spin and parity in triaxially-deformed atomic nuclei with odd numbers of protons and neutrons. The Particle-Rotor Model for such nuclei is…
The hyperfine interaction of phosphorus donors in fully strained Si thin films grown on virtual Si$_{1-x}$Ge$_x$ substrates with $x\leq 0.3$ is determined via electrically detected magnetic resonance. For highly strained epilayers,…
We provide here a roadmap for modeling silicon nano-devices with one or two group V donors (D). We discuss systems containing one or two electrons, that is, D^0, D^-, D_2^+ and D_2^0 centers. The impact of different levels of approximation…
The electronic structure of the three-particle donor bound exciton (D$^0$X) in silicon is computed using a large-scale atomic orbital tight-binding method within the Hartree approximation. The calculations yield a transition energy close to…
We demonstrate electrical control of Si:P double dots in which the potential is defined by nanoscale phosphorus doped regions. Each dot contains approximately 600 phosphorus atoms and has a diameter close to 30 nm. On application of a…
Single spin qubits based on phosphorus donors in silicon are a promising candidate for a large-scale quantum computer. Despite long coherence times, achieving uniform magnetic control remains a hurdle for scale-up due to challenges in…
In this paper, theoretical and numerical analyses are conducted of the profiles of the planar (-110) crystallographic direction in the diamond layer doped with boron atoms. The planar profiles for periodic doping following several ideal…
We study a two-dimensional cylindrically-symmetric electron droplet separated from a surrounding electron ring by a tunable barrier using the exact diagonalization method. The magnetic field is assumed strong so that the electrons become…
By creating a sharp and dense dopant profile of phosphorus atoms buried within a silicon host, a two-dimensional electron gas is formed within the dopant region. Quantum confinement effects induced by reducing the thickness of the dopant…
Motivated by recent transport experiments and proposed atomic-scale semiconductor devices, we present measurements that extend the reach of scanned-probe methods to discern the properties of individual dopants tens of nanometers below the…
Two-electron states bound to donors in silicon are important for both two qubit gates and spin readout. We present a full configuration interaction technique in the atomistic tight-binding basis to capture multi-electron exchange and…
Gate control of phosphorus donor based charge qubits in Si is investigated using a tight-binding approach. Excited molecular states of P2+ are found to impose limits on the allowed donor separations and operating gate voltages. The effects…
Ferroelectric materials can switch their polarization in response to an applied electric field. In this work, ferroelectricity at the single molecule level is proposed and investigated using density functional theory (DFT) calculations.…
In this paper, we discuss the dissociative electron attachment process in Formic Acid and Propyl Amine. These are molecules containing more than one functional group and have low symmetry (Cs group). We measured the kinetic energy and…
The preferred location of boron and phosphorus in oxidized free-standing Si nanoparticles was investigated using a first-principles density functional approach. The calculated formation energies indicate that P should segregate to the…
Based on a simplest molecular orbital theory of H$_{2}^{+}$, a three-parameter model potential function is proposed to describe ground-state diatomic systems with closed-shell and/or S-type valence-shell constituents over a significantly…