Persistent dynamic magnetic state in artificial honeycomb spin ice.

Topological magnetic charges, arising due to the non-vanishing magnetic flux on spin ice vertices, serve as the origin of magnetic monopoles that traverse the underlying lattice effortlessly. Unlike spin ice materials of atomic origin, the dynamic state in artificial honeycomb spin ice is conventionally described in terms of finite size domain wall kinetics that require magnetic field or current application. Contrary to this common understanding, here we show that a thermally tunable artificial permalloy honeycomb lattice exhibits a perpetual dynamic state due to self-propelled magnetic charge defect relaxation in the absence of any external tuning agent. Quantitative investigation of magnetic charge defect dynamics using neutron spin echo spectroscopy reveals sub-ns relaxation times that are comparable to the relaxation of monopoles in bulk spin ices. Most importantly, the kinetic process remains unabated at low temperature where thermal fluctuation is negligible. This suggests that dynamic phenomena in honeycomb spin ice are mediated by quasi-particle type entities, also confirmed by dynamic Monte-Carlo simulations that replicate the kinetic behavior. Our research unveils a macroscopic magnetic particle that shares many known traits of quantum particles, namely magnetic monopole and magnon.

Spin-Orbit Twisted Spin Waves: Group Velocity Control.

We present a theoretical and experimental study of the interplay between spin-orbit coupling (SOC), Coulomb interaction, and motion of conduction electrons in a magnetized two-dimensional electron gas. Via a transformation of the many-body Hamiltonian we introduce the concept of spin-orbit twisted spin waves, whose energy dispersions and damping rates are obtained by a simple wave-vector shift of the spin waves without SOC. These theoretical predictions are validated by Raman scattering measurements. With optical gating of the density, we vary the strength of the SOC to alter the group velocity of the spin wave. The findings presented here differ from that of spin systems subject to the Dzyaloshinskii-Moriya interaction. Our results pave the way for novel applications in spin-wave routing devices and for the realization of lenses for spin waves.

Giant collective spin-orbit field in a quantum well: fine structure of spin plasmons.

We employ inelastic light scattering with magnetic fields to study intersubband spin plasmons in a quantum well. We demonstrate the existence of a giant collective spin-orbit (SO) field that splits the spin-plasmon spectrum into a triplet. The effect is remarkable as each individual electron would be expected to precess in its own momentum-dependent SO field, leading to D'yakonov-Perel' dephasing. Instead, many-body effects lead to a striking organization of the SO fields at the collective level. The macroscopic spin moment is quantized by a uniform collective SO field, five times higher than the individual SO field. We provide a momentum-space cartography of this field.

Physical signatures of discontinuities of the time-dependent exchange-correlation potential.

The exact exchange-correlation (XC) potential in time-dependent density-functional theory (TDDFT) is known to develop steps and discontinuities upon change of the particle number in spatially confined regions or isolated subsystems. We demonstrate that the self-interaction corrected adiabatic local-density approximation for the XC potential has this property, using the example of electron loss of a model quantum well system. We then study the influence of the XC potential discontinuity in a real-time simulation of a dissociation process of an asymmetric double quantum well system, and show that it dramatically affects the population of the resulting isolated single quantum wells. This indicates the importance of a proper account of the discontinuities in TDDFT descriptions of ionization, dissociation or charge transfer processes.

Transport and optical conductivity in dilute magnetic semiconductors.

A theory of transport in spin and charge disordered media is developed, with a particular emphasis on dilute magnetic semiconductors. The approach is based on the equation of motion for the current-current response function and considers both spin and charge disorder and electron-electron interaction on an equal footing. The formalism is applied to the specific case of Ga(1-x)Mn(x)As. Within the single parabolic band approximation it is shown that both spin (p-d exchange) and charge (Coulomb) scattering contributions to the resistivity are of the same order of magnitude and should be treated simultaneously. Positional correlations of charged impurities are shown to significantly increase the Coulomb scattering. In the magnetically ordered phase, the suppression of localized spin fluctuations leads to a sizable reduction of spin scattering, which may contribute to the experimentally observed drop in resistivity below the critical temperature. The developed model allows for a comprehensive treatment of electron-electron interaction, screening and correlation effects by means of time-dependent density-functional theory. It is shown that collective modes and a dynamical treatment of electron-electron interaction are essential for an accurate description of the infrared absorption spectrum.

Excitation Energies in Time-Dependent (Current-) Density-Functional Theory: A Simple Perspective.

This paper gives a simple and pedagogical explanation, using density matrices of two-level systems, how to calculate excitation energies with time-dependent density-functional theory. The well-known single-pole approximation for excitation energies is derived here in an alternative way and extended to time-dependent current-density-functional theory.

Time-dependent V-representability on lattice systems.

We study the mapping between time-dependent densities and potentials for noninteracting electronic systems on lattices. As discovered recently by Baer [J. Chem. Phys. 128, 044103 (2008)], there exist well-behaved time-dependent density functions on lattices which cannot be associated with any real time-dependent potential. This breakdown of time-dependent V-representability can be tracked down to problems with the continuity equation which arise from discretization of the kinetic-energy operator. Examples are given for lattices with two points and with N points, and implications for practical numerical applications of time-dependent density-functional theory are discussed. In the continuum limit, time-dependent noninteracting V-representability is restored.

Real-time electron dynamics with exact-exchange time-dependent density-functional theory.

The exact exchange potential in time-dependent density-functional theory is defined as an orbital functional through the time-dependent optimized effective potential (TDOEP) method. We numerically solve the TDOEP integral equation for the real-time nonlinear intersubband electron dynamics in a semiconductor quantum well with two occupied subbands. It is found that memory effects become significant in the vicinity of intersubband resonances.

Generator coordinate method in time-dependent density-functional theory: memory made simple.

The generator coordinate (GC) method is a variational approach to the quantum many-body problem in which interacting many-body wave functions are constructed as superpositions of (generally nonorthogonal) eigenstates of auxiliary Hamiltonians containing a deformation parameter. This paper presents a time-dependent extension of the GC method as a new approach to improve existing approximations of the exchange-correlation (XC) potential in time-dependent density-functional theory (TDDFT). The time-dependent GC method is shown to be a conceptually and computationally simple tool to build memory effects into any existing adiabatic XC potential. As an illustration, the method is applied to driven parametric oscillations of two interacting electrons in a harmonic potential (Hooke's atom). It is demonstrated that a proper choice of time-dependent generator coordinates in conjunction with the adiabatic local-density approximation reproduces the exact linear and nonlinear two-electron dynamics quite accurately, including features associated with double excitations that cannot be captured by TDDFT in the adiabatic approximation.

Time-dependent density-functional theory beyond the adiabatic approximation: insights from a two-electron model system.

Most applications of time-dependent density-functional theory (TDDFT) use the adiabatic local-density approximation (ALDA) for the dynamical exchange-correlation potential V(xc)(r,t). An exact (i.e., nonadiabatic) extension of the ground-state LDA into the dynamical regime leads to a V(xc)(r,t) with a memory, which causes the electron dynamics to become dissipative. To illustrate and explain this nonadiabatic behavior, this paper studies the dynamics of two interacting electrons on a two-dimensional quantum strip of finite size, comparing TDDFT within and beyond the ALDA with numerical solutions of the two-electron time-dependent Schrodinger equation. It is shown explicitly how dissipation arises through multiple particle-hole excitations, and how the nonadiabatic extension of the ALDA fails for finite systems but becomes correct in the thermodynamic limit.

Time-dependent Kohn-Sham theory with memory.

In time-dependent density-functional theory, exchange and correlation (xc) beyond the adiabatic approximation can be described by viscoelastic stresses in the electron liquid. In the time domain, the resulting velocity-dependent xc vector potential has a memory containing short- and long-range components, leading to decoherence and energy relaxation. We solve the associated time-dependent Kohn-Sham equations, including the dependence on densities and currents at previous times, for the case of charge-density oscillations in a quantum well. We illustrate xc memory effects, clarify the dissipation mechanism, and extract intersubband relaxation rates for weak and strong excitations.

Excitation energies from time-dependent density-functional theory beyond the adiabatic approximation.

Time-dependent density-functional theory in the adiabatic approximation has been very successful for calculating excitation energies in molecular systems. This paper studies nonadiabatic effects for excitation energies, using the current-density functional of Vignale and Kohn [Phys. Rev. Lett. 77, 2037 (1996)]. We derive a general analytic expression for nonadiabatic corrections to excitation energies of finite systems and calculate singlet s-->s and s-->p excitations of closed-shell atoms. The approach works well for s-->s excitations, giving a small improvement over the adiabatic local-density approximation, but tends to overcorrect s-->p excitations. We find that the observed problems with the nonadiabatic correction have two main sources: (1) the currents associated with the s-->p excitations are highly nonuniform and, in particular, change direction between atomic shells, (2) the so-called exchange-correlation kernels of the homogeneous electron gas, f(xc) (L) and f(xc) (T), are incompletely known, in particular in the high-density atomic core regions.

Degeneracy in density functional theory: topology in the v and n spaces.

This paper clarifies the topology of the mapping between the v and n spaces in fermionic systems. Density manifolds corresponding to degeneracies g=1 and g>1 are shown to have the same mathematical measure: Every density near a g-ensemble-v-representable (g-VR) n(r) is also g-VR (except "boundary densities" of lower measure). The role of symmetry and the connection between T=0 and T=0(+) are discussed. A lattice model and the Be series are used as illustrations.

Kohn-Sham theory for ground-state ensembles.

An electron density distribution n(r) which can be represented by that of a single-determinant ground state of noninteracting electrons in an external potential v(r) is called pure-state v-representable (P-VR). Most physical electronic systems are P-VR. Systems which require a weighted sum of several such determinants to represent their density are called ensemble v-representable (E-VR). This paper develops formal Kohn-Sham equations for E-VR physical systems, using the appropriate coupling constant integration. It also derives local density- and generalized gradient approximations, and conditions and corrections specific to ensembles.

Theory of the linewidth of intersubband plasmons in quantum wells.

Intersubband (ISB) plasmons in remotely doped wide quantum wells acquire a linewidth even at zero temperature and in-plane wave vector q(parallel) = 0 by a combination of intrinsic (electron-electron interaction) and extrinsic effects (impurities and interface roughness). We present a quantitatively accurate theory of the linewidth that treats both effects on equal footing and from first principles by a combination of time-dependent density-functional theory with the memory function formalism. Comparison with recent optical absorption experiments shows that the ISB plasmon linewidth has a significant contribution from electron-electron interaction, and is only weakly related to the mobility.