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Zhang, Xiaoguang

Publications and source records attributed to Zhang, Xiaoguang.

13 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Quantum Theory, Quantum Materials, Quantum Computing

The Sanibel Symposium series is renowned amongst materials theorists, quantum chemists, and condensed matter physicists as meetings driving progress on theory, mod eling, and simulation of materials and their molecular and nano-scale constituents. The Symposia are highly unusual (perhaps unique) in their priority emphasis on theory and computation, in having no parallel sessions, in cultivating well-attended Hot-Topic contributed oral sessions, and accessible poster sessions. These provide highly visible, influential platforms for cross-fertilization among specialist investigators, hence are strong contributors to the advance of quantum information sciences (QIS) research of strategic importance to the Office of Basic Energy Sciences (BES). As part of a five-year plan to highlight QIS challenges and opportunities and foster progress on them, each of the pre ceding three Sanibel Symposia had a thematic focus, Quantum Theory, Quantum Materi als, Quantum Computing, as a major program component. Emphasis was on quantum materials and their molecular constituents. The award for 2024 was for year four of that sustained thematic focus.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Electron-nuclear decoupling at a spin clock transition

The ability to design quantum systems that decouple from environmental noise sources is highly desirable for development of quantum technologies with optimal coherence. The chemical tunability of electronic states in magnetic molecules combined with advanced electron spin resonance techniques provides excellent opportunities to address this problem. Indeed, so-called clock transitions have been shown to protect molecular spin qubits from magnetic noise, giving rise to significantly enhanced coherence. Here we conduct a spectroscopic and computational investigation of this physics, focusing on the role of the nuclear bath. Away from the clock transition, linear coupling to the nuclear degrees of freedom causes a modulation and decay of electronic coherence, as quantified via electron spin echo signals generated experimentally and in silico. Meanwhile, the effective hyperfine interaction vanishes at the clock transition, resulting in electron-nuclear decoupling and an absence of quantum information leakage to the nuclear bath, providing opportunities to characterize other decoherence sources.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Method for error correction in scanning probe microscopy

Disclosed here is a scanning probe microscope system and method for operating the same for producing scanning probe microscope images at fast scan rates and reducing oscillation artifacts. In some embodiments, an inverse consistent image registration method is used to align forward and backward scan traces for each line of the scanning microscope image. In some embodiments, the aligned forward and backward scan traces are combined using a weighting factor favoring the scan trace with higher smoothness. In some embodiments, the scanning probe microscope image is a potentiometry map and a method is provided to extract from the potentiometry map a conductivity map.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

First-principles calculations reveal controlling principles for carrier mobilities in semiconductors

It has long been believed that carrier mobilities in semiconductors can be calculated by Fermi s golden rule (Born approximation). Phenomenological models for scattering amplitudes are typically used for engineering- level device modeling. Here we introduce a parameter-free, first-principles approach based on complex- wavevector energy bands that does not invoke the Born approximation. We show that phonon-limited mobility is controlled by low-resistivity percolation paths and that in ionized-impurity scattering one must account for the effect of the screening charge, which cancels most of the Coulomb tail.Finally, calculated electron mobilities in silicon are in agreement with experimental data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Differentiation of surface and bulk conductivities in topological insulator via four-probe spectroscopy

Topological insulators, with characteristic topological surface states, have emerged as a new state of matter with rich potentials for both fundamental physics and device applications. However, the experimental detection of the surface transport has been hampered by the unavoidable extrinsic conductivity associated with the bulk crystals. Here we show that a four-probe transport spectroscopy in a multi-probe scanning tunneling microscopy system can be used to differentiate conductivities from the surface states and the coexisting bulk states in topological insulators. We derive a scaling relation of measured resistance with respect to varying inter-probe spacing for two interconnected conduction channels, which allows quantitative determination of conductivities from both channels. Using this method, we demonstrate the separation of 2D and 3D conduction in topological insulators by comparing the conductance scaling of Bi 2 Se 3 , Bi 2 Te 2 Se, and Sb-doped Bi 2 Se 3 with that of a pure 2D conductance of graphene on SiC substrate. We also report the 2D conductance enhancement due to the surface doping effect in topological insulators. This technique can be applied to reveal 2D to 3D crossover of conductance in other complex systems.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Defect-mediated transport and electronic irradiation effect in individual domains of CVD-grown monolayer MoS 2

We study the electrical transport properties of atomically thin individual crystalline grains of MoS 2 with four-probe scanning tunneling microscopy. The monolayer MoS 2 domains are synthesized by chemical vapor deposition on SiO 2 /Si substrate. Temperature dependent measurements on conductance and mobility show that transport is dominated by an electron charge trapping and thermal release process with very low carrier density and mobility. The effects of electronic irradiation are examined by exposing the film to electron beam in the scanning electron microscope in an ultrahigh vacuum environment. The irradiation process is found to significantly affect the mobility and the carrier density of the material, with the conductance showing a peculiar time-dependent relaxation behavior. It is suggested that the presence of defects in active MoS 2 layer and dielectric layer create charge trapping sites, and a multiple trapping and thermal release process dictates the transport and mobility characteristics. The electron beam irradiation promotes the formation of defects and impact the electrical properties of MoS 2 . Finally, our study reveals the important roles of defects and the electron beam irradiation effects in the electronic properties of atomic layers of MoS 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2014

Magnetoresistance of Au films

Classical magnetoresistance (MR) in nonmagnetic metals are conventionally understood in terms of the Kohler rule, with violation usually viewed as anomalous electron transport, in particular, as evidence of non-Fermi liquid behavior. Measurement of the MR of Au films as a function of temperature and film thickness reveals a strong dependence on grain size distribution and clear violation of the Kohler rule. Using a model of random resistor network, we show that this result can be explained if the MR arises entirely from inhomogeneity due to grain boundary scattering and thermal activation of grain boundary atoms. Consequently, the Kohler rule should not be used to distinguish normal and anomalous electron transport in solids.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Conformational Electroresistance and Hysteresis in Nanoclusters

Among many mechanisms proposed for electroresistance, ones involving structural changes are the least understood because of challenges of controllability and repeatability. Yet structural changes can cause dramatic changes in electronic properties, leading to multiple ways in which conduction paths can be opened and closed, not limited to filament movement or variation in molecular conductance. Here we show at least another way: conformational dependence of the Coulomb charging energy of a nanocluster, where charging induced conformational distortion changes the blockade voltage, which in turn leads to a giant electroresistance. This intricate interplay between charging and conformation change is demonstrated in a nanocluster Zn3O4 by combining a first-principles calculation with a temperature dependent transport model. The predicted hysteretic Coulomb blockade staircase in the current-voltage curve adds another dimension to the rich phenomenon of tunneling electroresistance. The new mechanism also provides a better controlled and repeatable platform to study conformational electroresistance.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Collective effects of temperature gradients and gravity on droplet coalescence

The interaction and coalescence of small spherical drops in dilute, homogeneous dispersions are considered theoretically under conditions, where drop motion results from gravity settling and thermocapillary migration acting simultaneously. A trajectory analysis is used to predict pairwise collision rates, and population dynamics equations are solved to predict the time evolution of the droplet size distribution. The rate of droplet collisions and growth may be reduced dramatically by antiparallel alignment of the gravitational and thermocapillary velocities. For such antiparallel alignment with the gravitational relative velocity exceeding the thermocapillary relative velocity for two widely separated drops, there is a 'collision-forbidden region' in parameter space. This occurs because the gravitational relative velocity decays more rapidly with decreasing separation distance between the drops than does the thermocapillary relative velocity, and so the resultant relative velocity along the line-of-centers from these two sources combined becomes zero at a finite separation and the drops are unable to collide. As a result, small drops which initially collide and coalesce due to thermocapillary motion will only grow until they reach a critical size for which the oppositely directed gravitational motion balances the thermocapillary motion.

Zhang, Xiaoguang↗
NASA NTRS1993

Experimental study of two interacting drops in an immiscible fluid

Experiments were performed in order to elucidate the effects of hydrodynamic interactions between two drops on their gravity-induced relative motion. The relative trajectories of two drops, their relative velocities, and the travel time for them to flow around each other were measured for different initial horizontal separations. Two size ratios and two viscosity ratios were investigated. Hydrodynamic interactions significantly reduce the relative velocity of two nearby drops and cause them to flow around each other with curved trajectories, resulting in a longer duration of the close encounter, compared with that for two non-interacting drops. These effects increase with decreasing drop separation, decreasing size ratio, and increasing viscosity ratio. Experimental results are in good agreement with theoretical predictions, except when the drops become sufficiently close that interface deformation occurs.

Zhang, Xiaoguang↗
NASA NTRS1991

The rate of collisions due to Brownian or gravitational motion of small drops

Quantitative predictions of the collision rate of two spherical drops undergoing Brownian diffusion or gravitational sedimentation are presented. The diffusion equation for relative Brownian motion of two drops is derived, and the relative motion of pairs of drops in gravitational sedimentation is traced via a trajectory analysis in order to develop theoretical models to determine the collision efficiencies, both with and without interparticle forces applied between the drops. It is concluded that finite collision rates between nondeforming fluid drops are possible for Brownian diffusion or gravitational sedimentation in the absence of attractive forces, in stark contrast to the prediction that lubrication forces prevent rigid spheres from contacting each other unless an attractive force that becomes infinite as the separation approaches zero is applied. Collision rates are shown to increase as the viscosity of the drop-phase decreases. In general, hydrodynamic interactions reduce the collision rates more for gravitational collisions than for Brownian collisions.

Zhang, Xiaoguang↗