Search results for "Orbit"
showing 10 items of 1104 documents
Chaotization of internal motion of excitons in ultrathin layers by spin–orbit coupling
2018
We show that Rashba spin-orbit coupling (SOC) can generate chaotic behavior of excitons in two-dimensional semiconductor structures. To model this chaos, we study a Kepler system with spin-orbit coupling and numerically obtain a transition to chaos at a sufficiently strong coupling. The chaos emerges since the SOC reduces the number of integrals of motion as compared to the number of degrees of freedom. Dynamically, the dependence of the exciton energy on the spin orientation in the presence of SOC produces an anomalous spin-dependent velocity resulting in chaotic motion. We observe numerically the critical dependence of the dynamics on the initial conditions, where the system can return to…
Closed-shell coupled-cluster theory with spin-orbit coupling
2008
A two-component closed-shell coupled-cluster (CC) approach using relativistic effective core potentials with spin-orbit coupling included in the post-Hartree-Fock treatment is proposed and implemented at the CC singles and doubles (CCSD) level as well as at the CCSD level augmented by a perturbative treatment of triple excitations [CCSD(T)]. The latter invokes as an additional approximation the neglect of the occupied-occupied and virtual-virtual blocks of the spin-orbit coupling matrix in order to avoid the iterative N(7) steps in the treatment of triple excitations. The computational effort of the implemented two-component CC methods is about 10-15 times that of its corresponding nonrelat…
Energy-level repulsion by spin-orbit coupling in two-dimensional Rydberg excitons
2018
We study the effects of Rashba spin-orbit coupling on two-dimensional Rydberg exciton systems. Using analytical and numerical arguments we demonstrate that this coupling considerably modifies the wave functions and leads to a level repulsion that results in a deviation from the Poissonian statistics of the adjacent level distance distribution. This signifies the crossover to non-integrability of the system and hints on the possibility of quantum chaos emerging. Such a behavior strongly differs from the classical realization, where spin-orbit coupling produces highly entangled, chaotic electron trajectories in an exciton. We also calculate the oscillator strengths and show that randomization…
Analytic energy gradients in closed-shell coupled-cluster theory with spin-orbit coupling
2008
Gradients in closed-shell coupled-cluster (CC) theory with spin-orbit coupling included in the post Hartree-Fock treatment have been implemented at the CC singles and doubles (CCSD) level and at the CCSD level augmented by a perturbative treatment of triple excitations [CCSD(T)]. The additional computational effort required in analytic energy-gradient calculations is roughly the same as that for ground-state energy calculations in the case of CCSD, and it is about twice in the case of CCSD(T) calculations. The structures, harmonic frequencies, and dipole moments of some heavy-element compounds have been calculated using the present analytic energy-gradient techniques including spin-orbit co…
Bepposax: 3 Years of Operation
2001
BeppoSAX, the X-Ray Astronomy satellite operating in the (0.1–300) keY energy band has now lived more than 30.000 hours in orbit and it is halfway to complete the 3rd round of observations (A03 started at the beginning of may 1999 and it will end in April 2000). A report is given on the general fields covered by the mission and on the more relevant results obtained. The satellite is in excellent operating conditions and it is foreseen to continue the observational life-time well beyond the initially scheduled 3 years.
Exotic magnetism in the alkali sesquioxidesRb4O6andCs4O6
2009
Among the various alkali oxides the sesquioxides ${\text{Rb}}_{4}{\text{O}}_{6}$ and ${\text{Cs}}_{4}{\text{O}}_{6}$ are of special interest. Electronic-structure calculations using the local spin-density approximation predicted that ${\text{Rb}}_{4}{\text{O}}_{6}$ should be a half-metallic ferromagnet, which was later contradicted when an experimental investigation of the temperature-dependent magnetization of ${\text{Rb}}_{4}{\text{O}}_{6}$ showed a low-temperature magnetic transition and differences between zero-field-cooled and field-cooled measurements. Such behavior is known from spin glasses and frustrated systems. ${\text{Rb}}_{4}{\text{O}}_{6}$ and ${\text{Cs}}_{4}{\text{O}}_{6}$ c…
Current-induced spin-orbit torques in ferromagnetic and antiferromagnetic systems
2018
Spin-orbit coupling in inversion-asymmetric magnetic crystals and structures has emerged as a powerful tool to generate complex magnetic textures, interconvert charge and spin under applied current, and control magnetization dynamics. Current-induced spin-orbit torques mediate the transfer of angular momentum from the lattice to the spin system, leading to sustained magnetic oscillations or switching of ferromagnetic as well as antiferromagnetic structures. The manipulation of magnetic order, domain walls and skyrmions by spin-orbit torques provides evidence of the microscopic interactions between charge and spin in a variety of materials and opens novel strategies to design spintronic devi…
Diverging exchange force and form of the exact density matrix functional
2019
For translationally invariant one-band lattice models, we exploit the ab initio knowledge of the natural orbitals to simplify reduced density matrix functional theory (RDMFT). Striking underlying features are discovered: First, within each symmetry sector, the interaction functional $\mathcal{F}$ depends only on the natural occupation numbers $\bf{n}$. The respective sets $\mathcal{P}^1_N$ and $\mathcal{E}^1_N$ of pure and ensemble $N$-representable one-matrices coincide. Second, and most importantly, the exact functional is strongly shaped by the geometry of the polytope $\mathcal{E}^1_N \equiv \mathcal{P}^1_N $, described by linear constraints $D^{(j)}(\bf{n})\geq 0$. For smaller systems,…
Continuity equation and local gauge invariance for the N3LO nuclear energy density functionals
2011
Background: The next-to-next-to-next-to-leading order (N3LO) nuclear energy density functional extends the standard Skyrme functional with new terms depending on higher-order derivatives of densities, introduced to gain better precision in the nuclear many-body calculations. A thorough study of the transformation properties of the functional with respect to different symmetries is required, as a step preliminary to the adjustment of the coupling constants. Purpose: Determine to which extent the presence of higher-order derivatives in the functional can be compatible with the continuity equation. In particular, to study the relations between the validity of the continuity equation and invari…
Nuclear energy density optimization: Shell structure
2013
Nuclear density functional theory is the only microscopical theory that can be applied throughout the entire nuclear landscape. Its key ingredient is the energy density functional. In this work, we propose a new parameterization UNEDF2 of the Skyrme energy density functional. The functional optimization is carried out using the POUNDerS optimization algorithm within the framework of the Skyrme Hartree-Fock-Bogoliubov theory. Compared to the previous parameterization UNEDF1, restrictions on the tensor term of the energy density have been lifted, yielding a very general form of the energy density functional up to second order in derivatives of the one-body density matrix. In order to impose c…