Electron Localization in the Insulating State

The insulating state of matter is characterized by the excitation spectrum, but also by qualitative features of the electronic ground state. The insulating ground wavefunction in fact: (i) sustains macroscopic polarization, and (ii) is localized. We give a sharp definition of the latter concept, and we show how the two basic features stem from essentially the same formalism. Our approach to localization is exemplified by means of a two--band Hubbard model in one dimension. In the noninteracting limit the wavefunction localization is measured by the spread of the Wannier orbitals.Comment: 5 pages including 3 figures, submitted to PR

The Quantum-Mechanical Position Operator in Extended Systems

The position operator (defined within the Schroedinger representation in the standard way) becomes meaningless when periodic boundary conditions are adopted for the wavefunction, as usual in condensed matter physics. We show how to define the position expectation value by means of a simple many-body operator acting on the wavefunction of the extended system. The relationships of the present findings to the Berry-phase theory of polarization are discussed.Comment: Four pages in RevTe

Theory of Orbital Magnetization in Solids

In this review article, we survey the relatively new theory of orbital magnetization in solids-often referred to as the "modern theory of orbital magnetization"-and its applications. Surprisingly, while the calculation of the orbital magnetization in finite systems such as atoms and molecules is straight forward, in extended systems or solids it has long eluded calculations owing to the fact that the position operator is ill-defined in such a context. Approaches that overcome this problem were first developed in 2005 and in the first part of this review we present the main ideas reaching from a Wannier function approach to semi-classical and finite-temperature formalisms. In the second part, we describe practical aspects of calculating the orbital magnetization, such as taking k-space derivatives, a formalism for pseudopotentials, a single k-point derivation, a Wannier interpolation scheme, and DFT specific aspects. We then show results of recent calculations on Fe, Co, and Ni. In the last part of this review, we focus on direct applications of the orbital magnetization. In particular, we will review how properties such as the nuclear magnetic resonance shielding tensor and the electron paramagnetic resonance g-tensor can elegantly be calculated in terms of a derivative of the orbital magnetization

Non-Abelian Braiding of Lattice Bosons

We report on a numerical experiment in which we use time-dependent potentials to braid non-abelian quasiparticles. We consider lattice bosons in a uniform magnetic field within the fractional quantum Hall regime, where $\nu$, the ratio of particles to flux quanta, is near 1/2, 1 or 3/2. We introduce time-dependent potentials which move quasiparticle excitations around one another, explicitly simulating a braiding operation which could implement part of a gate in a quantum computation. We find that different braids do not commute for $\nu$ near $1$ and $3/2$, with Berry matrices respectively consistent with Ising and Fibonacci anyons. Near $\nu=1/2$, the braids commute.Comment: 5 pages, 1 figur

Nested Kirkpatrick–Baez (Montel) optics for hard X-rays

A comprehensive description and ray-tracing simulations are presented for symmetric nested Kirkpatrick-Baez (KB) mirrors, commonly used at synchrotrons and in commercial X-ray sources. This paper introduces an analytical procedure for determining the proper orientation between the two surfaces composing the nested KB optics. This procedure has been used to design and simulate collimating optics for a hard-X-ray inverse Compton scattering source. The resulting optical device is composed of two 12 cm-long parabolic surfaces coated with a laterally graded multilayer and is capable of collimating a 12 keV beam with a divergence of 5 mrad (FWHM) by a factor of ~250. A description of the ray-tracing software that was developed to simulate the graded multilayer mirrors is included