arXiv subjects

D. A. Browne

Publications and source records attributed to D. A. Browne.

At least 19 recordsLinked to original sources

arXiv2025

Quantum computation of molecular geometry via many-body nuclear spin echoes

Quantum-information-inspired experiments in nuclear magnetic resonance spectroscopy may yield a pathway towards determining molecular structure and properties that are otherwise challenging to learn. We measure out-of-time-ordered correlators (OTOCs) [1-4] on two organic molecules suspended in a nematic liquid crystal, and investigate the utility of this data in performing structural learning tasks. We use OTOC measurements to augment molecular dynamics models, and to correct for known approximations in the underlying force fields. We demonstrate the utility of OTOCs in these models by estimating the mean ortho-meta H-H distance of toluene and the mean dihedral angle of 3',5'-dimethylbiphenyl, achieving similar accuracy and precision to independent spectroscopic measurements of both quantities. To ameliorate the apparent exponential classical cost of interpreting the above OTOC data, we simulate the molecular OTOCs on a Willow superconducting quantum processor, using AlphaEvolve-optimized [5] quantum circuits and arbitrary-angle fermionic simulation gates. We implement novel zero-noise extrapolation techniques based on the Pauli pathing model of operator dynamics [6], to repeat the learning experiments with root-mean-square error $0.05$ over all circuits used. Our work highlights a computational protocol to interpret many-body echoes from nuclear magnetic systems using low resource quantum computation.

quant-ph↗

arXiv2020

Extreme High-Field Superconductivity in Thin Re Films

We report the high-field superconducting properties of thin, disordered Re films via magneto-transport and tunneling density of states measurements. Films with thicknesses in the range of 9 nm to 3 nm had normal state sheet resistances of $\sim$0.2 k$Ω$ to $\sim$1 k$Ω$ and corresponding transition temperatures in the range of 6 K to 3 K. Tunneling spectra were consistent with those of a moderate coupling BCS superconductor. Notwithstanding these unremarkable superconducting properties, the films exhibited an extraordinarily high upper critical field. We estimate their zero-temperature $H_{c2}$ to be more than twice the Pauli limit. Indeed, in 6 nm samples the estimated reduced critical field $H_{c2}/T_c\sim$ 5.6 T/K is among the highest reported for any elemental superconductor. Although the sheet resistances of the films were well below the quantum resistance $R_Q=h/4e^2$, their $H_{c2}$'s approached the theoretical upper limit of a strongly disordered superconductor for which $k_F\ell\sim1$.

cond-mat.supr-con↗

arXiv2020

Helical magnetic order and Fermi surface nesting in non-centrosymmetric ScFeGe

An investigation of the structural, magnetic, thermodynamic, and charge transport properties of non-centrosymmetric hexagonal ScFeGe reveals it to be an anisotropic metal with a transition to a weak itinerant incommensurate helimagnetic state below $T_N = 36$ K. Neutron diffraction measurements discovered a temperature and field independent helical wavevector \textbf{\textit{k}} = (0 0 0.193) with magnetic moments of 0.53 $μ_{B}$ per formula unit confined to the {\it ab}-plane. Density functional theory calculations are consistent with these measurements and find several bands that cross the Fermi level along the {\it c}-axis with a nearly degenerate set of flat bands just above the Fermi energy. The anisotropy found in the electrical transport is reflected in the calculated Fermi surface, which consists of several warped flat sheets along the $c$-axis with two regions of significant nesting, one of which has a wavevector that closely matches that found in the neutron diffraction. The electronic structure calculations, along with a strong anomaly in the {\it c}-axis conductivity at $T_N$, signal a Fermi surface driven magnetic transition, similar to that found in spin density wave materials. Magnetic fields applied in the {\it ab}-plane result in a metamagnetic transition with a threshold field of $\approx$ 6.7 T along with a sharp, strongly temperature dependent, discontinuity and a change in sign of the magnetoresistance for in-plane currents. Thus, ScFeGe is an ideal system to investigate the effect of in-plane magnetic fields on an easy-plane magnetic system, where the relative strength of the magnetic interactions and anisotropies determine the topology and magnetic structure.

cond-mat.mtrl-sci↗

arXiv2017

Effect of doping on the intersubband absorption in Si- and Ge-doped GaN/AlN heterostructures

In this paper, we study band-to-band and intersubband characteristics of GaN/AlN heterostructures (planar and nanowires) structurally designed to absorb in the short-wavelength infrared region, particularly at 1.55 microns. We compare the effect of doping the GaN sections with Si and Ge, and we discuss the variation of free-carrier screening with the doping density and well/nanodisk size. We observe that nanowire heterostructures consistently present longer photoluminescence decay times than their planar counterparts, which supports the existence of an in-plane piezoelectric field associated to the shear component of the strain tensor, leading to lateral electron-hole separation. We report intersubband absorption covering 1.45 microns to 1.75 microns using Ge-doped quantum wells, with comparable performance to well-studied Si-doped planar heterostructures. We also report comparable intersubband absorption in Si- and Ge-doped nanowire heterostructures indicating that the choice of dopant is not an intrinsic barrier for observing intersubband phenomena. In addition, we calculate the spectral shift of the intersubband absorption due to many body effects as a function of the doping concentration.

cond-mat.mtrl-sci↗

arXiv2014

Magnetic, thermodynamic, and electrical transport properties of the noncentrosymmetric B20 germanides MnGe and CoGe

We present magnetization, specific heat, resistivity, and Hall effect measurements on the cubic B20 phase of MnGe and CoGe and compare to measurements of isostructural FeGe and electronic structure calculations. In MnGe, we observe a transition to a magnetic state at $T_c=275$ K as identified by a sharp peak in the ac magnetic susceptibility, as well as second phase transition at lower temperature that becomes apparent only at finite magnetic field. We discover two phase transitions in the specific heat at temperatures much below the Curie temperature one of which we associate with changes to the magnetic structure. A magnetic field reduces the temperature of this transition which corresponds closely to the sharp peak observed in the ac susceptibility at fields above 5 kOe. The second of these transitions is not affected by the application of field and has no signature in the magnetic properties or our crystal structure parameters. Transport measurements indicate that MnGe is metal with a negative magnetoresistance similar to that seen in isostructural FeGe and MnSi. Hall effect measurements reveal a carrier concentration of about 0.5 carriers per formula unit also similar to that found in FeGe and MnSi. CoGe is shown to be a low carrier density metal with a very small, nearly temperature independent diamagnetic susceptibility.

cond-mat.str-el↗

arXiv2010

Quantum Criticality and Incipient Phase Separation in the Thermodynamic Properties of the Hubbard Model

Transport measurements on the cuprates suggest the presence of a quantum critical point hiding underneath the superconducting dome near optimal hole doping. We provide numerical evidence in support of this scenario via a dynamical cluster quantum Monte Carlo study of the extended two-dimensional Hubbard model. Single particle quantities, such as the spectral function, the quasiparticle weight and the entropy, display a crossover between two distinct ground states: a Fermi liquid at low filling and a non-Fermi liquid with a pseudogap at high filling. Both states are found to cross over to a marginal Fermi-liquid state at higher temperatures. For finite next-nearest-neighbor hopping t' we find a classical critical point at temperature T_c. This classical critical point is found to be associated with a phase separation transition between a compressible Mott gas and an incompressible Mott liquid corresponding to the Fermi liquid and the pseudogap state, respectively. Since the critical temperature T_c extrapolates to zero as t' vanishes, we conclude that a quantum critical point connects the Fermi-liquid to the pseudogap region, and that the marginal-Fermi-liquid behavior in its vicinity is the analogous of the supercritical region in the liquid-gas transition.

cond-mat.str-el↗

arXiv2009

Kondo effect and absence of quantum interference effects in the charge transport of cobalt doped iron pyrite

The Hall effect and resistivity of the carrier doped magnetic semiconductor Fe$_{1-x}$Co$_x$S$_2$ were measured for $0\le x \le 0.16$, temperatures between 0.05 and 300 K, and fields of up to 9 T. Our Hall data indicate electron charge carriers with a density of only 10 to 30% of the Co density of our crystals. Despite the previous identification of magnetic Griffiths phase formation in the magnetic and thermodynamic properties of this system for the same range of $x$, we measure a temperature independent resistivity below 0.5 K indicating Fermi liquid-like transport. We also observe no indication of quantum corrections to the conductivity despite the small values of the product of the Fermi wave vector and the mean-free-path, $1.5 \le k_F\ell \le 15$, over the range of $x$ investigated. This implies a large inelastic scattering rate such that the necessary condition for the observation of quantum contributions to the carrier transport, quantum coherence over times much longer than the elastic scattering time, is not met in our samples. Above 0.5 K we observe a temperature and magnetic field dependent resistivity that closely resembles a Kondo anomaly for $x$ less than that required to form a long range magnetic state, $x_c$. For $x>x_c$, the resistivity and magnetoresistance resemble that of a spin glass with a reduction of the resistivity by as much as 35% in 5 T fields. We also observe an enhancement of the residual resistivity ratio by almost a factor of 2 for samples with $x\sim x_c$ indicating temperature dependent scattering mechanisms beyond simple carrier-phonon scattering. We speculate that this enhancement is due to charge carrier scattering from magnetic fluctuations which contribute to the resistivity over a wide temperature range.

cond-mat.str-el↗

arXiv2009

Magnetic and thermodynamic properties of cobalt doped iron pyrite: Griffiths Phase in a magnetic semiconductor

Doping of the band insulator FeS$_2$ with Co on the Fe site introduces a small density of itinerant carriers and magnetic moments. The lattice constant, AC and DC magnetic susceptibility, magnetization, and specific heat have been measured over the $0\le x\le 0.085$ range of Co concentration. The variation of the AC susceptibility with hydrostatic pressure has also been measured in a small number of our samples. All of these quantities show systematic variation with $x$ including a paramagnetic to disordered ferromagnetic transition at $x=0.007\pm 0.002$. A detailed analysis of the changes with temperature and magnetic field reveal small power law dependencies at low temperatures for samples near the critical concentration for magnetism, and just above the Curie temperature at higher $x$. In addition, the magnetic susceptibility and specific heat are non-analytic around H=0 displaying an extraordinarily sharp field dependence in this same temperature range. We interpret this behavior as due to the formation of Griffiths phases that result from the quenched disorder inherent in a doped semiconductor.

cond-mat.str-el↗

arXiv2007

Discovery of Griffiths phase in itinerant magnetic semiconductor Fe_{1-x}Co_xS_2

Critical points that can be suppressed to zero temperature are interesting because quantum fluctuations have been shown to dramatically alter electron gas properties. Here, the metal formed by Co doping the paramagnetic insulator FeS$_2$, Fe$_{1-x}$Co$_x$S$_2$, is demonstrated to order ferromagnetically at $x>x_c=0.01\pm0.005$ where we observe unusual transport, magnetic, and thermodynamic properties. We show that this magnetic semiconductor undergoes a percolative magnetic transition with distinct similarities to the Griffiths phase, including singular behavior at $x_c$ and zero temperature.

cond-mat.mtrl-sci↗

arXiv2005

Boundary effects on localized structures in spatially extended systems

We present a general method of analyzing the influence of finite size and boundary effects on the dynamics of localized solutions of non-linear spatially extended systems. The dynamics of localized structures in infinite systems involve solvability conditions that require projection onto a Goldstone mode. Our method works by extending the solvability conditions to finite sized systems, by incorporating the finite sized modifications of the Goldstone mode and associated nonzero eigenvalue. We apply this method to the special case of non-equilibrium domain walls under the influence of Dirichlet boundary conditions in a parametrically forced complex Ginzburg Landau equation, where we examine exotic nonuniform domain wall motion due to the influence of boundary conditions.

nlin.PS↗

arXiv2004

Interaction of Ising-Bloch fronts with Dirichlet Boundaries

We study the Ising-Bloch bifurcation in two systems, the Complex Ginzburg Landau equation (CGLE) and a FitzHugh Nagumo (FN) model in the presence of spatial inhomogeneity introduced by Dirichlet boundary conditions. It is seen that the interaction of fronts with boundaries is similar in both systems, establishing the generality of the Ising-Bloch bifurcation. We derive reduced dynamical equations for the FN model that explain front dynamics close to the boundary. We find that front dynamics in a highly non-adiabatic (slow front) limit is controlled by fixed points of the reduced dynamical equations, that occur close to the boundary.

nlin.PS↗

arXiv2003

The Effect of Disorder on a Quantum Phase Transition

The conductivity and magnetization of Fe1-xCoxS2 were measured to investigate quantum critical behavior in disordered itinerant magnets. Small x (<0.001) is required to convert insulating iron pyrite into a metal, followed by a paramagnetic-to-ferromagnetic metal transition at x = 0.032+/-0.004. Singular contributions are discovered that are distinct from those at either metal-insulator or magnetic transitions. Our data reveal that disorder and low carrier density associated with proximity to a metal-insulator transition fundamentally modifies the critical behavior of the magnetic transition.

cond-mat.str-el↗

arXiv1996

Nonequilibrium Critical Dynamics of a Three Species Monomer-Monomer Model

We study a three species monomer-monomer catalytic surface reaction model with a reactive steady state bordered by three equivalent unreactive phases where the surface is saturated with one species. The transition from the reactive to a saturated phase shows directed percolation critical behavior. Each pair of these reactive-saturated phase boundaries join at a bicritical point where the universal behavior is in the even branching annihilating random walk class. We find the crossover exponent from bicritical to critical behavior and a new exponent associated with the bicritical interface dynamics.

cond-mat↗

arXiv1995

Lattice Dynamics of II-VI materials using adiabatic bond charge model

We extend the adiabatic bond charge model, originally developed for group IV semiconductors and III-V compounds, to study phonons in more ionic II-VI compounds with a zincblende structure. Phonon spectra, density of states and specific heats are calculated for six II-VI compounds and compared with both experimental data and the results of other models. We show that the 6-parameter bond charge model gives a good description of the lattice dynamics of these materials. We also discuss trends in the parameters with respect to the ionicity and metallicity of these compounds.

cond-mat↗

arXiv1995

First Principles LCGO Calculation of the Magneto-optical Properties of Nickel and Iron

We report a first principles, self-consistent, all electron, linear combination of Gaussian orbitals (LCGO) calculation of a comprehensive collection of magneto-optical properties of nickel and iron based on density functional theory. Among the many magneto-optical effects, we have studied the equatorial Kerr effect for absorption in the optical as well as soft X-ray region, where it is called X-ray magnetic linear dichroism (X-MLD). In the optical region the effect is of the order of 2\% while in the X-ray region it is of the order of 1\% for the incident angles considered. In addition, the polar Kerr effect, X-ray magnetic circular dichroism (X-MCD) and total X-ray absorption at the L$_{2,3}$ edges, soft X-ray Faraday effect at the L$_{2,3}$ edges have also been calculated. Our results are in good agreement with experiments and other first principles methods that have been used to calculate some of these properties.

cond-mat↗

arXiv1995

The Role of the Environment in Chaotic Quantum Dynamics

We study how the interaction with an external incoherent environment induces a crossover from quantum to classical behavior for a particle whose classical motion is chaotic. Posing the problem in the semiclassical regime, we find that noise produced by the bath coupling rather than dissipation is primarily responsible for the dephasing that results in the ``classicalization'' of the particle. We find that the bath directly alters the phase space structures that signal the onset of classical chaos. This dephasing is shown to have a semiclassical interpretation: the noise renders the interfering paths indistinguishable and therefore incoherent. The noise is also shown to contribute to the quantum inhibition of mixing by creating new paths that interfere coherently.

chao-dyn↗

arXiv1994

The Inhibition of Mixing in Chaotic Quantum Dynamics

We study the quantum chaotic dynamics of an initially well-localized wave packet in a cosine potential perturbed by an external time-dependent force. For our choice of initial condition and with $\hbar$ small but finite, we find that the wave packet behaves classically (meaning that the quantum behavior is indistinguishable from that of the analogous classical system) as long as the motion is confined to the interior of the remnant separatrix of the cosine potential. Once the classical motion becomes unbounded, however, we find that quantum interference effects dominate. This interference leads to a long-lived accumulation of quantum amplitude on top of the cosine barrier. This pinning of the amplitude on the barrier is a dynamic mechanism for the quantum inhibition of classical mixing.

cond-mat↗

arXiv1994

Recurrences in Driven Quantum Systems

We consider an initially bound quantum particle subject to an external time-dependent field. When the external field is large, the particle shows a tendency to repeatedly return to its initial state, irrespective of whether the frequency of the field is sufficient for escape from the well. These recurrences, which are absent in a classical calculation, arise from the system evolving primarily like a free particle in the external field.

cond-mat↗