The electronic and magnetic properties of neutral substitutional transition-metal dopants in dia- mond are calculated within density functional theory using the generalized gradient approximation to the exchange-correlation potential. Ti and Fe are n
onmagnetic, whereas the ground state of V, Cr and Mn are magnetic with a spin entirely localized on the magnetic ion. For Co, Ni, and Cu, the ground state is magnetic with the spin distributed over the transition-metal ion and the nearest-neighbor carbon atoms; furthermore a bound state is found in the gap that originates from the hybridization of the 3d-derived level of the dopant and the 2p-derived dangling bonds of the nearest-neighbor carbons. A p{d hybridization model is developed in order to describe the origin of the magnetic interaction. This model predicts high-spin to low-spin transitions for Ni and Cu under compressive strain.
The electronic and magnetic properties of a neutral substitutional nickel (Ni$_s^0$) impurity in diamond are studied using density functional theory in the generalized gradient approximation. The spin-one ground state consists of two electrons with p
arallel spins, one located on the nickel ion in the $3d^9$ configuration and the other distributed among the nearest-neighbor carbons. The exchange interaction between these spins is due to $p-d$ hybridization and is controllable with compressive hydrostatic or uniaxial strain, and for sufficient strain the antiparallel spin configuration becomes the ground state. Hence, the Ni impurity forms a controllable two-electron exchange-coupled system that should be a robust qubit for solid-state quantum information processing.
Compared with direct-gap semiconductors, the valley degeneracy of silicon and germanium opens up new channels for spin relaxation that counteract the spin degeneracy of the inversion-symmetric system. Here the symmetries of the electron-phonon intera
ction for silicon and germanium are identified and the resulting spin lifetimes are calculated. Room-temperature spin lifetimes of electrons in silicon are found to be comparable to those in gallium arsenide, however, the spin lifetimes in silicon or germanium can be tuned by reducing the valley degeneracy through strain or quantum confinement. The tunable range is limited to slightly over an order of magnitude by intravalley processes.
We predict it is possible to achieve high-efficiency room-temperature spin injection from a mag- netic metal into InAs-based semiconductors using an engineered Schottky barrier based on an InAs/AlSb superlattice. The Schottky barrier with most metals
is negative for InAs and positive for AlSb. For such metals there exist InAs/AlSb superlattices with a conduction band edge perfectly aligned with the metals Fermi energy. The initial AlSb layer can be grown to the thickness required to produce a desired interface resistance. We show that the conductivity and spin lifetimes of such superlattices are sufficiently high to permit efficient spin injection from ferromagnetic metals.
An AC electric field applied to a donor-bound electron in a semiconductor modulates the orbital character of its wave function, which affects the electrons spin dynamics via the spin-orbit interaction. Numerical calculations of the spin dynamics of a
hydrogenic donor (Si) embedded in GaAs, using a real-space multi-band k.p formalism, show the high symmetry of the hydrogenic donor state results in strongly nonlinear dependences of the electronic g tensor on applied fields. A nontrivial consequence is that the most rapid Rabi oscillations occur for electric fields modulated at a subharmonic of the Larmor frequency.
The magnetic circular dichroism of III-V diluted magnetic semiconductors, calculated within a theoretical framework suitable for highly disordered materials, is shown to be dominated by optical transitions between the bulk bands and an impurity band
formed from magnetic dopant states. The theoretical framework incorporates real-space Greens functions to properly incorporate spatial correlations in the disordered conduction band and valence band electronic structure, and includes extended and localized electronic states on an equal basis. Our findings reconcile unusual trends in the experimental magnetic circular dichroism in III-V DMSs with the antiferromagnetic p-d exchange interaction between a magnetic dopant spin and its host.
We calculate the dependence on an applied electric field of the g tensor of a single electron in a self-assembled InAs/GaAs quantum dot. We identify dot sizes and shapes for which one in-plane component of the g tensor changes sign for realistic elec
tric fields, and show this should permit full Bloch-sphere control of the electron spin in the quantum dot using only a static magnetic field and a single vertical electric gate.
