Geometrical Magnetic Frustration in Rare Earth Chalcogenide Spinels

We have characterized the magnetic and structural properties of the CdLn2Se4 (Ln = Dy, Ho), and CdLn2S4 (Ln = Ho, Er, Tm, Yb) spinels. We observe all compounds to be normal spinels, possessing a geometrically frustrated sublattice of lanthanide atoms with no observable structural disorder. Fits to the high temperature magnetic susceptibilities indicate these materials to have effective antiferromagnetic interactions, with Curie-Weiss temperatures theta ~ -10 K, except CdYb2S4 for which theta ~ -40 K. The absence of magnetic long range order or glassiness above T = 1.8 K strongly suggests that these materials are a new venue in which to study the effects of strong geometrical frustration, potentially as rich in new physical phenomena as that of the pyrochlore oxides.Comment: 17 pages, 5 figures, submitted to Phys Rev B; added acknowledgement

Effects of Cavities in the Bacterial Reaction Center

A site-specific double mutant of Rhodobacter capsulatus, in which the large aromatic residues M208Tyr and L181Phe in the interior of the photosynthetic reaction center (RC) complex were replaced by smaller theonine residues, showed a dramatic reduction in the number of assembled complexes and was incapable of photosynthetic growth. The cavity created by the smaller side chains interferes mostly with the assembly of the complex. Phenotypic revertants were recovered in which a spontaneous second-site mutation restored photocompetence in the presence of the original site-specific mutations. In these strains, an Ala to Pro substitution in neighboring transmembrane helix (at M271) resulted in an increased yield of RC complexes. To test the hypothesis that the original phenotype was due to a cavity, other mutants were constructed where L180Phe and M207Leu were replaced with alanines that created similar-sized voids at other positions in the membrane-spanning interior. The L180Ala-M207A mutant had the same phenotype. Coupling of the above proline substitution to these new cavity mutants also resulted in photocompetant strains that carry increased levels of RC complexes. Therefore, the proline substitution at M271 serves as a global suppressor of the phenotype caused by these internal cavities

Measurements of Nanoscale Domain Wall Flexing in a Ferromagnetic Thin Film

We use the high spatial sensitivity of the anomalous Hall effect in the ferromagnetic semiconductor Ga1-xMnxAs, combined with the magneto-optical Kerr effect, to probe the nanoscale elastic flexing behavior of a single magnetic domain wall in a ferromagnetic thin film. Our technique allows position sensitive characterization of the pinning site density, which we estimate to be around 10^14 cm^{-3}. Analysis of single site depinning events and their temperature dependence yields estimates of pinning site forces (10 pN range) as well as the thermal deactivation energy. Finally, our data hints at a much higher intrinsic domain wall mobility for flexing than previously observed in optically-probed micron scale measurements

Ga-NMR local susceptibility of the kagome-based magnet SrCr_9pGa_(12-9p)O_19. A high temperature study

We report a high-$T$ Ga-NMR study in the kagome-based antiferromagnetic compound SrCr$_{9p}$Ga$_{12-9p}$O$_{19}$ ($.81\leq p\leq .96$), and present a refined mean-field analysis of the high T local NMR susceptibility of Cr frustrated moments. We find that the intralayer kagome coupling is $J=86(6)$ K, and the interlayer coupling through non-kagome Cr moments is $J^{\prime }=69(7)$ K. The $J^{\prime}/J=0.80(1)$ ratio confirms the common belief that the frustrated entity is a pyrochlore slab.Comment: 8 pages, 4 figures Conference paper: Highly Frustrated Magnetism 2000, Waterloo (Canada) Submitted to Canadian Journal of Physic

Antisite effect on ferromagnetism in (Ga,Mn)As

We study the Curie temperature and hole density of (Ga,Mn)As while systematically varying the As-antisite density. Hole compensation by As-antisites limits the Curie temperature and can completely quench long-range ferromagnetic order in the low doping regime of 1-2% Mn. Samples are grown by molecular beam epitaxy without substrate rotation in order to smoothly vary the As to Ga flux ratio across a single wafer. This technique allows for a systematic study of the effect of As stoichiometry on the structural, electronic, and magnetic properties of (Ga,Mn)As. For concentrations less than 1.5% Mn, a strong deviation from Tc ~ p^0.33 is observed. Our results emphasize that proper control of As-antisite compensation is critical for controlling the Curie temperatures in (Ga,Mn)As at the low doping limit.Comment: 10 pages, 7 figure

Low Temperature Spin Freezing in Dy2Ti2O7 Spin Ice

We report a study of the low temperature bulk magnetic properties of the spin ice compound Dy2Ti2O7 with particular attention to the (T < 4 K) spin freezing transition. While this transition is superficially similar to that in a spin glass, there are important qualitative differences from spin glass behavior: the freezing temperature increases slightly with applied magnetic field, and the distribution of spin relaxation times remains extremely narrow down to the lowest temperatures. Furthermore, the characteristic spin relaxation time increases faster than exponentially down to the lowest temperatures studied. These results indicate that spin-freezing in spin ice materials represents a novel form of magnetic glassiness associated with the unusual nature of geometrical frustration in these materials.Comment: 24 pages, 8 figure

Magnetic susceptibility of diluted pyrochlore and SCGO antiferromagnets

We investigate the magnetic susceptibility of the classical Heisenberg antiferromagnet with nearest-neighbour interactions on the geometrically frustrated pyrochlore lattice, for a pure system and in the presence of dilution with nonmagnetic ions. Using the fact that the correlation length in this system for small dilution is always short, we obtain an approximate but accurate expression for the magnetic susceptibility at all temperatures. We extend this theory to the compound SrCr_{9-9x}Ga_{3+9x}O_{19} (SCGO) and provide an explanation of the phenomenological model recently proposed by Schiffer and Daruka [Phys. Rev. B56, 13712 (1997)].Comment: 4 pages, Latex, 4 postscript figures automatically include

Ice: a strongly correlated proton system

We discuss the problem of proton motion in Hydrogen bond materials with special focus on ice. We show that phenomenological models proposed in the past for the study of ice can be recast in terms of microscopic models in close relationship to the ones used to study the physics of Mott-Hubbard insulators. We discuss the physics of the paramagnetic phase of ice at 1/4 filling (neutral ice) and its mapping to a transverse field Ising model and also to a gauge theory in two and three dimensions. We show that H3O+ and HO- ions can be either in a confined or deconfined phase. We obtain the phase diagram of the problem as a function of temperature T and proton hopping energy t and find that there are two phases: an ordered insulating phase which results from an order-by-disorder mechanism induced by quantum fluctuations, and a disordered incoherent metallic phase (or plasma). We also discuss the problem of decoherence in the proton motion introduced by the lattice vibrations (phonons) and its effect on the phase diagram. Finally, we suggest that the transition from ice-Ih to ice-XI observed experimentally in doped ice is the confining-deconfining transition of our phase diagram.Comment: 12 pages, 9 figure

Interdependence of Inhibitor Recognition in HIV-1 Protease

Molecular recognition is a highly interdependent process. Subsite couplings within the active site of proteases are most often revealed through conditional amino acid preferences in substrate recognition. However, the potential effect of these couplings on inhibition and thus inhibitor design is largely unexplored. The present study examines the interdependency of subsites in HIV-1 protease using a focused library of protease inhibitors, to aid in future inhibitor design. Previously a series of darunavir (DRV) analogs was designed to systematically probe the S1\u27 and S2\u27 subsites. Co-crystal structures of these analogs with HIV-1 protease provide the ideal opportunity to probe subsite interdependency. All-atom molecular dynamics simulations starting from these structures were performed and systematically analyzed in terms of atomic fluctuations, intermolecular interactions, and water structure. These analyses reveal that the S1\u27 subsite highly influences other subsites: the extension of the hydrophobic P1\u27 moiety results in 1) reduced van der Waals contacts in the P2\u27 subsite, 2) more variability in the hydrogen bond frequencies with catalytic residues and the flap water, and 3) changes in the occupancy of conserved water sites both proximal and distal to the active site. In addition, one of the monomers in this homodimeric enzyme has atomic fluctuations more highly correlated with DRV than the other monomer. These relationships intricately link the HIV-1 protease subsites and are critical to understanding molecular recognition and inhibitor binding. More broadly, the interdependency of subsite recognition within an active site requires consideration in the selection of chemical moieties in drug design; this strategy is in contrast to what is traditionally done with independent optimization of chemical moieties of an inhibitor