Condensed Matter

Otto, Martin R.;de Cotret, Laurent P. René;Valverde-Chavez, David A.;Tiwari, Kunal L.;Émond, Nicolas;Chaker, Mohamed;Cooke, David G.;Siwick, Bradley J.

doi: 10.1073/pnas.1808414115pmid: 30587594

Abstract: We combine ultrafast electron diffraction and time-resolved terahertz spectroscopy measurements to unravel the connection between structure and electronic transport properties during the photoinduced insulator-metal transitions in vanadium dioxide. We determine the structure of the metastable monoclinic metal phase, which exhibits anti-ferroelectric charge order arising from a thermally activated, orbital-selective phase transition in the electron system. The relative contribution of this photoinduced monoclinic metal (which has no equilibrium analog) and the photoinduced rutile metal (known from the equilibrium phase diagram) to the time and pump-fluence dependent multi-phase character of the film is established, as is the respective impact of these two distinct phase transitions on the observed changes in terahertz conductivity. Our results represent an important new example of how light can control the properties of strongly correlated materials and elucidate that multi-modal experiements are essential when seeking a detailed connection between ultrafast changes in optical-electronic properties and lattice structure in complex materials.

Rocks, Jason W.;Ronellenfitsch, Henrik;Liu, Andrea J.;Nagel, Sidney R.;Katifori, Eleni

doi: 10.1073/pnas.1806790116pmid: 30679270

Abstract: Nature is rife with networks that are functionally optimized to propagate inputs in order to perform specific tasks. Whether via genetic evolution or dynamic adaptation, many networks create functionality by locally tuning interactions between nodes. Here we explore this behavior in two contexts: strain propagation in mechanical networks and pressure redistribution in flow networks. By adding and removing links, we are able to optimize both types of networks to perform specific functions. We define a single function as a tuned response of a single "target" link when another, predetermined part of the network is activated. Using network structures generated via such optimization, we investigate how many simultaneous functions such networks can be programmed to fulfill. We find that both flow and mechanical networks display qualitatively similar phase transitions in the number of targets that can be tuned, along with the same robust finite-size scaling behavior. We discuss how these properties can be understood in the context of a new class of constraint-satisfaction problems.

Brehmer, Johann;Louppe, Gilles;Pavez, Juan;Cranmer, Kyle

doi: 10.1073/pnas.1915980117pmid: 32079725

Abstract: Simulators often provide the best description of real-world phenomena. However, they also lead to challenging inverse problems because the density they implicitly define is often intractable. We present a new suite of simulation-based inference techniques that go beyond the traditional Approximate Bayesian Computation approach, which struggles in a high-dimensional setting, and extend methods that use surrogate models based on neural networks. We show that additional information, such as the joint likelihood ratio and the joint score, can often be extracted from simulators and used to augment the training data for these surrogate models. Finally, we demonstrate that these new techniques are more sample efficient and provide higher-fidelity inference than traditional methods.

Zheng, Lu;Dong, Hui;Wu, Xiaoyu;Huang, Yen-Lin;Wang, Wenbo;Wu, Weida;Wang, Zheng;Lai, Keji

doi: 10.1073/pnas.1722499115pmid: 29735698

Abstract: The electrical generation and detection of elastic waves are the foundation for acousto-electronic and acousto-optic systems. For surface-acoustic-wave devices, micro-/nano-electromechanical systems, and phononic crystals, tailoring the spatial variation of material properties such as piezoelectric and elastic tensors may bring significant improvements to the system performance. Due to the much smaller speed of sound than speed of light in solids, it is desirable to study various electroacoustic behaviors at the mesoscopic length scale. In this work, we demonstrate the interferometric imaging of electromechanical power transduction in ferroelectric lithium niobate domain structures by microwave impedance microscopy. In sharp contrast to the traditional standing-wave patterns caused by the superposition of counter-propagating waves, the constructive and destructive fringes in microwave dissipation images exhibit an intriguing one-wavelength periodicity. We show that such unusual interference patterns, which are fundamentally different from the acoustic displacement fields, stem from the nonlocal interaction between electric fields and elastic waves. The results are corroborated by numerical simulations taking into account the sign reversal of piezoelectric tensor in oppositely polarized domains. Our work paves new ways to probe nanoscale electroacoustic phenomena in complex structures by near-field electromagnetic imaging.

Filip, Marina R.;Giustino, Feliciano

doi: 10.1073/pnas.1719179115pmid: 29735683

Abstract: Perovskite minerals form an essential component of the Earth's mantle, and synthetic crystals are ubiquitous in electronics, photonics, and energy technology. The extraordinary chemical diversity of these crystals raises the question on how many and which perovskites are yet to be discovered. Here we show that the "no-rattling" principle postulated by Goldschmidt in 1926, describing the geometric conditions under which a perovskite can form, is much more effective than previously thought, and allows us to predict new perovskites with a fidelity of 80%. By supplementing this principle with inferential statistics and internet data mining we establish that currently known perovskites are only the tip of the iceberg, and we enumerate ninety thousand hitherto-unknown compounds awaiting to be studied. Our results suggest that geometric blueprints may enable the systematic screening of millions of compounds, and offer untapped opportunities in structure prediction and materials design.

Shtanko, Oles;Levitov, Leonid

doi: 10.1073/pnas.1722663115pmid: 29789382

Abstract: Ballistically propagating topologically protected states harbor exotic transport phenomena of wide interest. Here we describe a nontopological mechanism that produces such states at the surfaces of generic Dirac materials, giving rise to propagating surface modes with energies near the bulk band crossing. The robustness of surface states originates from the unique properties of Dirac-Bloch wavefunctions which exhibit strong coupling to generic boundaries. Surface states, described by Jackiw-Rebbi-type bound states, feature a number of interesting properties. Mode dispersion is gate tunable, exhibiting a wide variety of different regimes, including nondispersing flat bands and linear crossings within the bulk bandgap. The ballistic wavelike character of these states resembles the properties of topologically protected states; however, it requires neither topological restrictions nor additional crystal symmetries. The Dirac surface states are weakly sensitive to surface disorder and can dominate edge transport at the energies near the Dirac point.

Bentsen, Gregory;Gu, Yingfei;Lucas, Andrew

doi: 10.1073/pnas.1811033116pmid: 30898887

Abstract: Given a quantum many-body system with few-body interactions, how rapidly can quantum information be hidden during time evolution? The fast scrambling conjecture is that the time to thoroughly mix information among N degrees of freedom grows at least logarithmically in N. We derive this inequality for generic quantum systems at infinite temperature, bounding the scrambling time by a finite decay time of local quantum correlations at late times. Using Lieb-Robinson bounds, generalized Sachdev-Ye-Kitaev models, and random unitary circuits, we propose that a logarithmic scrambling time can be achieved in most quantum systems with sparse connectivity. These models also elucidate how quantum chaos is not universally related to scrambling: we construct random few-body circuits with infinite Lyapunov exponent but logarithmic scrambling time. We discuss analogies between quantum models on graphs and quantum black holes, and suggest methods to experimentally study scrambling with as many as 100 sparsely-connected quantum degrees of freedom.

Guo, Shuo;Samanta, Devranjan;Peng, Yi;Xu, Xinliang;Cheng, Xiang

doi: 10.1073/pnas.1722505115pmid: 29941551

Abstract: Bacterial suspensions--a premier example of active fluids--show an unusual response to shear stresses. Instead of increasing the viscosity of the suspending fluid, the emergent collective motions of swimming bacteria can turn a suspension into a "superfluid" with zero apparent viscosity. Although the existence of active "superfluids" has been demonstrated in bulk rheological measurements, the microscopic origin and dynamics of such an exotic phase have not been experimentally probed. Here, using high-speed confocal rheometry, we study the dynamics of concentrated bacterial suspensions under simple planar shear. We find that bacterial "superfluids" under shear exhibit unusual symmetric shear bands, defying the conventional wisdom on shear-banding of complex fluids, where the formation of steady shear bands necessarily breaks the symmetry of unsheared samples. We propose a simple hydrodynamic model based on the local stress balance and the ergodic sampling of nonequilibrium shear configurations, which quantitatively describes the observed symmetric shear-banding structure. The model also successfully predicts various interesting features of swarming vortices in stationary bacterial suspensions. Our study provides new insights into the physical properties of collective swarming in active fluids and illustrates their profound influences on transport processes.

Leahy, Ian A.;Lin, Yu-Ping;Siegfried, Peter E.;Treglia, Andrew C.;Song, Justin C. W.;Nandkishore, Rahul M.;Lee, Minhyea

doi: 10.1073/pnas.1808747115pmid: 30282733

Abstract: The rapidly expanding class of quantum materials known as {\emph{topological semimetals}} (TSM) display unique transport properties, including a striking dependence of resistivity on applied magnetic field, that are of great interest for both scientific and technological reasons. However, experimental signatures that can identify or discern the dominant mechanism and connect to available theories are scarce. Here we present the magnetic susceptibility ($\chi$), the tangent of the Hall angle ($\tan\theta_H$) along with magnetoresistance in four different non-magnetic semimetals with high mobilities, NbP, TaP, NbSb$_2$ and TaSb$_2$, all of which exhibit non-saturating large MR. We find that the distinctly different temperature dependences, $\chi(T)$ and the values of $\tan\theta_H$ in phosphides and antimonates serve as empirical criteria to sort the MR from different origins: NbP and TaP being uncompensated semimetals with linear dispersion, in which the non-saturating magnetoresistance arises due to guiding center motion, while NbSb$_2$ and TaSb$_2$ being {\it compensated} semimetals, with a magnetoresistance emerging from nearly perfect charge compensation of two quadratic bands. Our results illustrate how a combination of magnetotransport and susceptibility measurements may be used to categorize the increasingly ubiquitous non-saturating large magnetoresistance in TSMs.