arXiv subjects

Zhijun Wang

Publications and source records attributed to Zhijun Wang.

At least 163 records · Page 9Linked to original sources

arXiv2018

Band Connectivity for Topological Quantum Chemistry: Band Structures As A Graph Theory Problem

The conventional theory of solids is well suited to describing band structures locally near isolated points in momentum space, but struggles to capture the full, global picture necessary for understanding topological phenomena. In part of a recent paper [B. Bradlyn et al., Nature 547, 298 (2017)], we have introduced the way to overcome this difficulty by formulating the problem of sewing together many disconnected local "k-dot-p" band structures across the Brillouin zone in terms of graph theory. In the current manuscript we give the details of our full theoretical construction. We show that crystal symmetries strongly constrain the allowed connectivities of energy bands, and we employ graph-theoretic techniques such as graph connectivity to enumerate all the solutions to these constraints. The tools of graph theory allow us to identify disconnected groups of bands in these solutions, and so identify topologically distinct insulating phases.

cond-mat.mes-hall↗

arXiv2018

Building Blocks of Topological Quantum Chemistry: Elementary Band Representations

The link between chemical orbitals described by local degrees of freedom and band theory, which is defined in momentum space, was proposed by Zak several decades ago for spinless systems with and without time-reversal in his theory of "elementary" band representations. In Nature 547, 298-305 (2017), we introduced the generalization of this theory to the experimentally relevant situation of spin-orbit coupled systems with time-reversal symmetry and proved that all bands that do not transform as band representations are topological. Here, we give the full details of this construction. We prove that elementary band representations are either connected as bands in the Brillouin zone and are described by localized Wannier orbitals respecting the symmetries of the lattice (including time-reversal when applicable), or, if disconnected, describe topological insulators. We then show how to generate a band representation from a particular Wyckoff position and determine which Wyckoff positions generate elementary band representations for all space groups. This theory applies to spinful and spinless systems, in all dimensions, with and without time reversal. We introduce a homotopic notion of equivalence and show that it results in a finer classification of topological phases than approaches based only on the symmetry of wavefunctions at special points in the Brillouin zone. Utilizing a mapping of the band connectivity into a graph theory problem, which we introduced in Nature 547, 298-305 (2017), we show in companion papers which Wyckoff positions can generate disconnected elementary band representations, furnishing a natural avenue for a systematic materials search.

cond-mat.mes-hall↗

arXiv2017

Speed-dependent ice bandings in freezing colloidal suspensions

Formation mechanism of speed-dependent ice bandings in freezing colloidal suspensions, of significance in frost heaving and materials science, remains a mystery. With quantitative experiments, we propose a possible mechanism of speed-dependent ice bandings by focusing on the particle packing density and dynamic interface undercooling. The particle packing density ahead of the freezing interface decreases with increasing pulling speeds, attributed to the speed-dependent packing of particles. Through affecting the curvature undercooling of pore ices, the speed-dependent packing of particles can be used to explain speed-dependent thicknesses of ice bandings. The dynamic interface undercooling was obtained to explore curvature undercooling of pore ices and quantitative details of transient interface positions, speeds and undercooling were given. All the evidences imply that the speed-dependent particle packing and dynamic interface undercooling are responsible for speed-dependent ice bandings.

cond-mat.mtrl-sci↗

arXiv2017

Temperature-Driven Topological Transition in 1T'-MoTe2

The topology of Weyl semimetals requires the existence of unique surface states. Surface states have been visualized in spectroscopy measurements, but their connection to the topological character of the material remains largely unexplored. 1T'-MoTe2, presents a unique opportunity to study this connection. This material undergoes a phase transition at 240K that changes the structure from orthorhombic (putative Weyl semimetal) to monoclinic (trivial metal), while largely maintaining its bulk electronic structure. Here we show from temperature-dependent quasiparticle interference measurements that this structural transition also acts as a topological switch for surface states in 1T'-MoTe2. At low temperature, we observe strong quasiparticle scattering, consistent with theoretical predictions and photoemission measurements for the surface states in this material. In contrast, measurements performed at room temperature show the complete absence of the scattering wavevectors associated with the trivial surface states. These distinct quasiparticle scattering behaviors show that 1T'-MoTe2 is ideal for separating topological and trivial electronic phenomena via temperature dependent measurements.

cond-mat.mtrl-sci↗

arXiv2017

Realization of low-energy Dirac fermions in (Ir$_{1-x}$Pt$_x$)Te$_2$ superconductors

Superconducting and topological states are two distinct quantum states of matter. Superconductors with topologically nontrivial electronic states provide a platform to study the interplay between them. Recent study revealed that a bulk superconductor PdTe2 is a topological Dirac semimetal with type-II Dirac fermions. However, the Dirac fermions in PdTe2 have no contribution to the superconducting pair because the Dirac points reside far below the Fermi level (EF). Here, we show that in the isostructural compounds (Ir1-xPtx)Te2, the type-II Dirac points can be adjusted to EF by element substitution at x ~ 0.1, for which the bulk superconductivity appears near 2 K. The (Ir1-xPtx)Te2 superconductor with the Dirac points at EF paves the way for studying the relevant exotic physical phenomena such as topological superconductivity in Dirac semimetals.

cond-mat.mtrl-sci↗

arXiv2017

Distinguishing a Majorana zero mode using spin resolved measurements

One-dimensional topological superconductors host Majorana zero modes (MZMs), the non-local property of which could be exploited for quantum computing applications. Spin- polarized scanning tunneling microscopy measurements show that MZMs realized in self- assembled Fe chains on the surface of Pb have a spin polarization that exceeds that due to the magnetism of these chains. This feature, captured by our model calculations, is a direct consequence of the nonlocality of the Hilbert space of MZMs emerging from a topological band structure. Our study establishes spin polarization measurements as a diagnostic tool to uniquely distinguish topological MZMs from trivial in-gap states of a superconductor.

cond-mat.mes-hall↗

arXiv2017

Double crystallographic groups and their representations on the Bilbao Crystallographic Server

A new section of databases and programs devoted to double crystallographic groups (point and space groups) has been implemented in the Bilbao Crystallographic Server (http://www.cryst.ehu.es). The double crystallographic groups are required in the study of physical systems whose Hamiltonian includes spin-dependent terms. In the symmetry analysis of such systems, instead of the irreducible representations of the space groups, it is necessary to consider the single- and double-valued irreducible representations of the double space groups. The new section includes databases of symmetry operations (DGENPOS) and of irreducible representations of the double (point and space) groups (REPRESENTATIONS DPG and REPRESENTATIONS DSG). The tool DCOMPATIBILITY RELATIONS provides compatibility relations between the irreducible representations of double space groups at different k-vectors of the Brillouin zone when there is a group-subgroup relation between the corresponding little groups. The program DSITESYM implements the so-called site-symmetry approach, which establishes symmetry relations between localized and extended crystal states, using representations of the double groups. As an application of this approach, the program BANDREP calculates the band representations and the elementary band representations induced from any Wyckoff position of any of the 230 double space groups, giving information about the properties of these bands. Recently, the results of BANDREP have been extensively applied in the description and the search of topological insulators.

cond-mat.mes-hall↗

arXiv2017

Graph Theory Data for Topological Quantum Chemistry

Topological phases of noninteracting particles are distinguished by global properties of their band structure and eigenfunctions in momentum space. On the other hand, group theory as conventionally applied to solid-state physics focuses only on properties which are local (at high symmetry points, lines, and planes) in the Brillouin zone. To bridge this gap, we have previously [B. Bradlyn et al., Nature 547, 298--305 (2017)] mapped the problem of constructing global band structures out of local data to a graph construction problem. In this paper, we provide the explicit data and formulate the necessary algorithms to produce all topologically distinct graphs. Furthermore, we show how to apply these algorithms to certain "elementary" band structures highlighted in the aforementioned reference, and so identified and tabulated all orbital types and lattices that can give rise to topologically disconnected band structures. Finally, we show how to use the newly developed BANDREP program on the Bilbao Crystallographic Server to access the results of our computation.

cond-mat.mes-hall↗

arXiv2017

Topological quantum chemistry

The past decade's apparent success in predicting and experimentally discovering distinct classes of topological insulators (TIs) and semimetals masks a fundamental shortcoming: out of 200,000 stoichiometric compounds extant in material databases, only several hundred of them are topologically nontrivial. Are TIs that esoteric, or does this reflect a fundamental problem with the current piecemeal approach to finding them? To address this, we propose a new and complete electronic band theory that highlights the link between topology and local chemical bonding, and combines this with the conventional band theory of electrons. Topological Quantum Chemistry is a description of the universal global properties of all possible band structures and materials, comprised of a graph theoretical description of momentum space and a dual group theoretical description in real space. We classify the possible band structures for all 230 crystal symmetry groups that arise from local atomic orbitals, and show which are topologically nontrivial. We show how our topological band theory sheds new light on known TIs, and demonstrate the power of our method to predict a plethora of new TIs.

cond-mat.mes-hall↗

arXiv2017

The chiral anomaly factory: Creating Weyl fermions with a magnetic field

Weyl fermions can be created in materials with both time reversal and inversion symmetry by applying a magnetic field, as evidenced by recent measurements of anomalous negative magnetoresistance. Here, we do a thorough analysis of the Weyl points in these materials: by enforcing crystal symmetries, we classify the location and monopole charges of Weyl points created by fields aligned with high-symmetry axes. The analysis applies generally to materials with band inversion in the $T_d$, $D_{4h}$ and $D_{6h}$ point groups. For the $T_d$ point group, we find that Weyl nodes persist for all directions of the magnetic field. Further, we compute the anomalous magnetoresistance of field-created Weyl fermions in the semiclassical regime. We find that the magnetoresistance can scale non-quadratically with magnetic field, in contrast to materials with intrinsic Weyl nodes. Our results are relevant to future experiments in the semi-classical regime.

cond-mat.mes-hall↗

arXiv2017

Thermodynamics of interface in the freezing of colloidal suspensions: from macroscale to the microscale

A long controversy of ice lensing exists in the research of frost heave. By elucidating the mechanical and thermodynamics equilibria at the interface, we present the thermodynamics of the water/ice interface from macroscale to microscale for the freezing of colloidal suspensions. The application of the Clapeyron equation is confirmed both at macroscale to microscale via curvature effect. The thermodynamics at the interface indicates the initial of ice lensing/banding from the growth of pore ice, determined by the critical curvature undercooling instead of the critical fracture of frozen fringe. It is also proposed that the packing status of the porous structure in the particle layer ahead of the water/ice interface determines the ice lensing behaviors. The results presented here are different scenarios from previous investigations of freezing colloidal suspensions, and may shed light on the researches of this area.

cond-mat.soft↗

arXiv2017

Dynamic particle packing in freezing colloidal suspensions

In the field of freezing colloidal suspensions, it is important to understand the particle-scale behavior of particle packing. Here, we reveal the dynamics of particle packing by identifying the behavior of each single particle in situ. The typical pattern consists of locally ordered clusters and amorphous defects. The microscopic mechanism of pattern formation is ascribed to the non-equilibrium particle-packing process on the particle scale, described with the Péclet number. The macroscopic migration of a particle layer is also revealed by an analytical model involving parameters of freezing speed and initial volume fraction of particles.

cond-mat.mtrl-sci↗

arXiv2017

Focusing properties of discrete RF quadrupole

The particle motion equation in the Radio Frequency (RF) quadrupole is derived. The motion equation shows that the general transform matrix of RF quadrupole with length less than or equal to 0.5b*l (b is the relativistic velocity of particles and l is wavelength of radio frequency electromagnetic field) can describe the particle motion in arbitrary long RF quadrupole. By iterative integration, the general transform matrix of discrete RF quadrupole is derived from the motion equation. The transform matrix is in form of power series of focusing parameter B. It shows that for length less than b*l, the series up to 2nd order of B agrees well with the direct integration results for B up to 30, while for length less than 0.5b*l, the series up to 1st order is a good approximation of the real solution for B less than 30 already. The formula of the transform matrix can be integrated into the linac or beam line design code to deal with the focusing of the discrete RF quadrupole.

physics.acc-ph↗

arXiv2016

Time-Reversal-Breaking Weyl Fermions in Magnetic Heusler Alloys

Weyl fermions have recently been observed in several time-reversal-invariant semimetals and photonics materials with broken inversion symmetry. These systems are expected to have exotic transport properties such as the chiral anomaly. However, most discovered Weyl materials possess a substantial number of Weyl nodes close to the Fermi level that give rise to complicated transport properties. Here we predict, for the first time, a new family of Weyl systems defined by broken time-reversal symmetry, namely, Co-based magnetic Heusler materials XCo2Z (X = IVB or VB; Z = IVA or IIIA). To search for Weyl fermions in the centrosymmetric magnetic systems, we recall an easy and practical inversion invariant, which has been calculated to be -1, guaranteeing the existence of an odd number of pairs of Weyl fermions. These materials exhibit, when alloyed, only two Weyl nodes at the Fermi level - the minimum number possible in a condensed matter system. The Weyl nodes are protected by the rotational symmetry along the magnetic axis and separated by a large distance (of order 2$π$) in the Brillouin zone. The corresponding Fermi arcs have been calculated as well. This discovery provides a realistic and promising platform for manipulating and studying the magnetic Weyl physics in experiments.

cond-mat.mtrl-sci↗

arXiv2016

High-resolution studies of the Majorana atomic chain platform

Ordered assemblies of magnetic atoms on the surface of conventional superconductors can be used to engineer topological superconducting phases and realize Majorana fermion quasiparticles (MQPs) in a condensed matter setting. Recent experiments have shown that chains of Fe atoms on Pb generically have the required electronic characteristics to form a 1D topological superconductor and have revealed spatially resolved signatures of localized MQPs at the ends of such chains. Here we report higher resolution measurements of the same atomic chain system performed using a dilution refrigerator scanning tunneling microscope (STM). With significantly better energy resolution than previous studies, we show that the zero bias peak (ZBP) in Fe chains has no detectable splitting from hybridization with other states. The measurements also reveal that the ZBP exhibits a distinctive 'double eye' spatial pattern on nanometer length scales. Theoretically we show that this is a general consequence of STM measurements of MQPs with substantial spectral weight in the superconducting substrate, a conclusion further supported by measurements of Pb overlayers deposited on top of the Fe chains. Finally, we report experiments performed with superconducting tips in search of the particle-hole symmetric MQP signature expected in such measurements.

cond-mat.mes-hall↗

arXiv2016

Imaging electronic states on topological semimetals using scanning tunneling microscopy

Following the intense studies on topological insulators, significant efforts have recently been devoted to the search for gapless topological systems. These materials not only broaden the topological classification of matter but also provide a condensed matter realization of various relativistic particles and phenomena previously discussed mainly in high energy physics. Weyl semimetals host massless, chiral, low-energy excitations in the bulk electronic band structure, whereas a symmetry protected pair of Weyl fermions gives rise to massless Dirac fermions. We employed scanning tunneling microscopy/spectroscopy to explore the behavior of electronic states both on the surface and in the bulk of topological semimetal phases. By mapping the quasiparticle interference and emerging Landau levels at high magnetic field in Dirac semimetals Cd$_3$As$_2$ and Na$_3$Bi, we observed extended Dirac-like bulk electronic bands. Quasiparticle interference imaged on Weyl semimetal TaAs demonstrated the predicted momentum dependent delocalization of Fermi arc surface states in the vicinity of the surface-projected Weyl nodes.

cond-mat.mtrl-sci↗

arXiv2016

MoTe2: A Type-II Weyl Topological Metal

Based on the ab initio calculations, we show that MoTe2, in its low-temperature orthorhombic structure characterized by an X-ray diffraction study at 100 K, realizes 4 type-II Weyl points between the N-th and N+1-th bands, where N is the total number of valence electrons per unit cell. Other WPs and nodal lines between different other bands also appear close to the Fermi level due to a complex topological band structure. We predict a series of strain-driven topological phase transitions in this compound, opening a wide range of possible experimental realizations of different topological semimetal phases. Crucially, with no strain, the number of observable surface Fermi arcs in this material is 2 - the smallest number of arcs consistent with time-reversal symmetry.

cond-mat.mtrl-sci↗

arXiv2016

Beyond Dirac and Weyl fermions: Unconventional quasiparticles in conventional crystals

In quantum field theory, we learn that fermions come in three varieties: Majorana, Weyl, and Dirac. Here we show that in solid state systems this classification is incomplete and find several additional types of crystal symmetry-protected free fermionic excitations . We exhaustively classify linear and quadratic 3-, 6- and 8- band crossings stabilized by space group symmetries in solid state systems with spin-orbit coupling and time-reversal symmetry. Several distinct types of fermions arise, differentiated by their degeneracies at and along high symmetry points, lines, and surfaces. Some notable consequences of these fermions are the presence of Fermi arcs in non-Weyl systems and the existence of Dirac lines. Ab-initio calculations identify a number of materials that realize these exotic fermions close to the Fermi level.

cond-mat.mes-hall↗