A Hybrid Lagrangian Variation Method for Bose-Einstein Condensates in Optical Lattices

Solving the Gross--Pitaevskii (GP) equation describing a Bose--Einstein condensate (BEC) immersed in an optical lattice potential can be a numerically demanding task. We present a variational technique for providing fast, accurate solutions of the GP equation for systems where the external potential exhibits rapid varation along one spatial direction. Examples of such systems include a BEC subjected to a one--dimensional optical lattice or a Bragg pulse. This variational method is a hybrid form of the Lagrangian Variational Method for the GP equation in which a hybrid trial wavefunction assumes a gaussian form in two coordinates while being totally unspecified in the third coordinate. The resulting equations of motion consist of a quasi--one--dimensional GP equation coupled to ordinary differential equations for the widths of the transverse gaussians. We use this method to investigate how an optical lattice can be used to move a condensate non--adiabatically.Comment: 16 pages and 1 figur

A Hybrid Lagrangian Variational Method for Bose–Einstein Condensates in Optical Lattices

Solving the Gross–Pitaevskii (GP) equation describing a Bose–Einstein condensate (BEC) immersed in an optical lattice potential can be a numerically demanding task. We present a variational technique for providing fast, accurate solutions of the GP equation for systems where the external potential exhibits rapid variation along one spatial direction. Examples of such systems include a BEC subjected to a one-dimensional optical lattice or a Bragg pulse. This variational method is a hybrid form of the Lagrangian variational method for the GP equation in which a hybrid trial wavefunction assumes a Gaussian form in two coordinates while being totally unspecified in the third coordinate. The resulting equations of motion consist of a quasi-one-dimensional GP equation coupled to ordinary differential equations for the widths of the transverse Gaussians. We use this method to investigate how an optical lattice can be used to move a condensate non-adiabatically

Magnetic-field control of topological electronic response near room temperature in correlated Kagome magnets

Strongly correlated Kagome magnets are promising candidates for achieving controllable topological devices owing to the rich interplay between inherent Dirac fermions and correlation-driven magnetism. Here we report tunable local magnetism and its intriguing control of topological electronic response near room temperature in the Kagome magnet Fe3Sn2 using small angle neutron scattering, muon spin rotation, and magnetoresistivity measurement techniques. The average bulk spin direction and magnetic domain texture can be tuned effectively by small magnetic fields. Magnetoresistivity, in response, exhibits a measurable degree of anisotropic weak localization behavior, which allows the direct control of Dirac fermions with strong electron correlations. Our work points to a novel platform for manipulating emergent phenomena in strongly-correlated topological materials relevant to future applications

Spectroscopic characterization of the Co-substituted C-terminal domain of rubredoxin-2

Pseudomonas putida rubredoxin-2 (Rxn2) is an essential member of the alkane hydroxylation pathway and transfers electrons from a reductase to the membrane-bound hydroxylase. The regioselective hydroxylation of linear alkanes is a challenging chemical transformation of great interest for the chemical industry. Herein, we report the preparation and spectroscopic characterization of cobalt-substituted P. putida Rxn2 and a truncated version of the protein consisting of the C-terminal domain of the protein. Our spectroscopic data on the Co-substituted C-terminal domain supports a high-spin Co(II) with a distorted tetrahedral coordination environment. Investigation of the two-domain protein Rxn2 provides insights into the metal-binding properties of the N-terminal domain, the role of which is not well understood so far. Circular dichroism, electron paramagnetic resonance and X-ray absorption spectroscopies support an alternative Co-binding site within the N-terminal domain, which appears to not be relevant in nature. We have shown that chemical reconstitution in the presence of Co leads to incorporation of Co(II) into the active site of the C-terminal domain, but not the N-terminal domain of Rxn2 indicating distinct roles for the two rubredoxin domain

Caught in the H inact : Crystal Structure and Spectroscopy Reveal a Sulfur Bound to the Active Site of an O2_2‐stable State of [FeFe] Hydrogenase

[FeFe] hydrogenases are the most active H$_2$ converting catalysts in nature, but their extreme oxygen sensitivity limits their use in technological applications. The [FeFe] hydrogenases from sulfate reducing bacteria can be purified in an O$_2$‐stable state called Hinact. To date, the structure and mechanism of formation of Hinact remain unknown. Our 1.65 Å crystal structure of this state reveals a sulfur ligand bound to the open coordination site. Furthermore, in‐depth spectroscopic characterization by X‐ray absorption spectroscopy (XAS), nuclear resonance vibrational spectroscopy (NRVS), resonance Raman (RR) spectroscopy and infrared (IR) spectroscopy, together with hybrid quantum mechanical and molecular mechanical (QM/MM) calculations, provide detailed chemical insight into the Hinact state and its mechanism of formation. This may facilitate the design of O$_2$‐stable hydrogenases and molecular catalysts

Superconducting vortices in CeCoIn5: toward the Pauli-limiting field.

Many superconducting materials allow the penetration of magnetic fields in a mixed state in which the superfluid is threaded by a regular lattice of Abrikosov vortices, each carrying one quantum of magnetic flux. The phenomenological Ginzburg-Landau theory, based on the concept of characteristic length scales, has generally provided a good description of the Abrikosov vortex lattice state. We conducted neutron-scattering measurements of the vortex lattice form factor in the heavy-fermion superconductor cerium-cobalt-indium (CeCoIn5) and found that this form factor increases with increasing field-opposite to the expectations within the Abrikosov-Ginzburg-Landau paradigm. We propose that the anomalous field dependence of the form factor arises from Pauli paramagnetic effects around the vortex cores and from the proximity of the superconducting state to a quantum critical point