arXiv subjects

Junwei Liu

Publications and source records attributed to Junwei Liu.

106 records · Page 6Linked to original sources

arXiv2016

Conetronics in 2D Metal-Organic Frameworks: Double Dirac Cones, Magnetic Half Dirac Cones and Quantum Anomalous Hall Effect

Based on recently synthesized Ni3C12S12 class 2D metal-organic frameworks, we predict electronic properties of M3C12S12 and M3C12O12, where M is Zn, Cd, Hg, Be, or Mg with no M orbital contributions to bands near Fermi level. For M3C12S12, their band structures exhibit double Dirac cones with different Fermi velocities that are n and p type, respectively, which are switchable by few-percent strain. The crossing of two cones are symmetry-protected to be non-hybridizing, leading to two independent channels in 2D node-line semimetals at the same k-point akin to spin-channels in spintronics, rendering conetronics device possible. The node line rings right at their crossing, which are both electron and hole pockets at the Fermi level, can give rise to magnetoresistance that will not saturate when the magnetic field is infinitely large, due to perfect n-p compensation. For M3C12O12, together with conjugated metal-tricatecholate polymers M3(HHTP)2, the spin-polarized slow Dirac cone center is pinned precisely at the Fermi level, making the systems conducting in only one spin or cone channel. Quantum anomalous Hall effect can arise in MOFs with non-negligible spin-orbit coupling like Cu3C12O12. Compounds of M3C12S12 and M3C12O12 with different M, can be used to build spintronic and cone-selecting heterostructure devices, tunable by strain or electrostatic gating.

cond-mat.mtrl-sci↗

arXiv2016

Van der Waals Stacking Induced Topological Phase Transition in Layered Ternary Transition Metal Chalcogenides

Novel materials with nontrivial electronic and photonic band topology are crucial for realizing novel devices with low power consumption and heat dissipation, and quantum computing free of decoherence. Here using first-principles approach, we predict a class of ternary transition metal chalcogenides (TTMC) MM'Te$_4$ exhibits dual topological characteristics: quantum spin Hall (QSH) insulators in their 2D monolayers and topological Weyl semimetals in their 3D noncentrosymmetric crystals upon van der Waals (vdW) stacking. Remarkably, we find that one can create and annihilate Weyl fermions, and realize the transition between Type-I and Type-II Weyl fermions by tuning vdW interlayer spacing. Our calculations show that they possess excellent thermodynamic stability and weak interlayer binding, implying their great potentials for experimental synthesis, direct exfoliation and vdW heterostacking. Moreover, their ternary nature will offer more tunability for electronic structure by controlling different stoichiometry and valence charges. Our findings provide an ideal materials platform for realizing QSH effect and exploring topological phase transition, and will open up a variety of new opportunities for two-dimensional materials and topological materials research.

cond-mat.mtrl-sci↗

arXiv2016

Tunable Weyl fermions and Fermi arcs in magnetized topological crystalline insulators

Based on $k\cdot p$ analysis and realistic tight-binding calculations, we find that time-reversal-breaking Weyl semimetals can be realized in magnetically-doped (Mn, Eu, Cr etc.) Sn$_{1-x}$Pb$_x$(Te,Se) class of topological crystalline insulators. All the Weyl points are well separated in momentum space and possess nearly the same energy due to high crystalline symmetry. Moreover, both the Weyl points and Fermi arcs are highly tunable by varying Pb/Sn composition, pressure, magnetization, temperature, surface potential etc., opening up the possibility of manipulating Weyl points and rewiring the Fermi arcs.

cond-mat.mes-hall↗

arXiv2015

Topological semimetals with Riemann surface states

Riemann surfaces are geometric constructions in complex analysis that may represent multi-valued holomorphic functions using multiple sheets of the complex plane. We show that the energy dispersion of surface states in topological semimetals can be represented by Riemann surfaces generated by holomorphic functions in the two-dimensional momentum space, whose constant height contours correspond to Fermi arcs. This correspondence is demonstrated in the recently discovered Weyl semimetals and leads us to predict new types of topological semimetals, whose surface states are represented by double- and quad-helicoid Riemann surfaces. The intersection of multiple helicoids, or the branch cut of the generating function, appears on high-symmetry lines in the surface Brillouin zone, where surface states are guaranteed to be doubly degenerate by a glide reflection symmetry. We predict the heterostructure superlattice [(SrIrO$_3$)$_2$(CaIrO$_3$)$_2$] to be a topological semimetal with double-helicoid Riemann surface states.

cond-mat.mes-hall↗

arXiv2015

Converting normal insulators into topological insulators via tuning orbital levels

Tuning the spin-orbit coupling strength via foreign element doping and/or modifying bonding strength via strain engineering are the major routes to convert normal insulators to topological insulators. We here propose an alternative strategy to realize topological phase transition by tuning the orbital level. Following this strategy, our first-principles calculations demonstrate that a topological phase transition in some cubic perovskite-type compounds CsGeBr$_3$ and CsSnBr$_3$ could be facilitated by carbon substitutional doping. Such unique topological phase transition predominantly results from the lower orbital energy of the carbon dopant, which can pull down the conduction bands and even induce band inversion. Beyond conventional approaches, our finding of tuning the orbital level may greatly expand the range of topologically nontrivial materials.

cond-mat.mtrl-sci↗

arXiv2015

Crystal Field Effect Induced Topological Crystalline Insulators In Monolayer IV-VI Semiconductors

Two-dimensional (2D) topological crystalline insulators (TCIs) were recently predicted in thin films of the SnTe class of IV-VI semiconductors, which can host metallic edge states protected by mirror symmetry. As thickness decreases, quantum confinement effect will increase and surpass the inverted gap below a critical thickness, turning TCIs into normal insulators. Surprisingly, based on first-principles calculations, here we demonstrate that (001) monolayers of rocksalt IV-VI semiconductors XY (X=Ge, Sn, Pb and Y= S, Se, Te) are 2D TCIs with the fundamental band gap as large as 260 meV in monolayer PbTe, providing a materials platform for realizing two-dimensional Dirac fermion systems with tunable band gap. This unexpected nontrivial topological phase stems from the strong {\it crystal field effect} in the monolayer, which lifts the degeneracy between $p_{x,y}$ and $p_z$ orbitals and leads to band inversion between cation $p_z$ and anion $p_{x,y}$ orbitals. This crystal field effect induced topological phase offers a new strategy to find and design other atomically thin 2D topological materials.

cond-mat.mtrl-sci↗

arXiv2015

Electrically Tunable Quantum Spin Hall State in Topological Crystalline Insulator Thin films

Based on a combination of $k \cdot p$ theory, band topology analysis and electronic structure calculations, we predict the (111) thin films of the SnTe class of three-dimensional (3D) topological crystalline insulators realize the quantum spin Hall phase in a wide range of thickness. The nontrivial topology originates from the inter-surface coupling of the topological surface states of TCI in the 3D limit. The inter-surface coupling changes sign and gives rise to topological phase transitions as a function of film thickness. Furthermore, this coupling can be strongly affected by an external electric field, hence the quantum spin Hall phase can be effectively tuned under experimentally accessible the electric field. Our results show that (111) thin films of SnTe-class TCI can be an ideal platform to realize the novel applications of quantum spin Hall insulators.

cond-mat.mtrl-sci↗

arXiv2014

Dirac mass generation from crystal symmetry breaking on the surfaces of topological crystalline insulators

The tunability of topological surface states (SS) and controllable opening of the Dirac gap are of fundamental and practical interest in the field of topological materials. In topological crystalline insulators (TCIs), a spontaneously generated Dirac gap was recently observed, which was ascribed to broken cubic crystal symmetry. However, this structural distortion has not been directly observed so far, and the microscopic mechanism of Dirac gap opening via crystal symmetry breaking remains elusive. In this work, we present scanning tunneling microscopy (STM) measurements of a TCI Pb$_{1-x}$Sn$_x$Se for a wide range of alloy compositions spanning the topological and non-topological regimes. STM topographies directly reveal a symmetry-breaking distortion on the surface, which imparts mass to the otherwise massless Dirac electrons - a mechanism analogous to the long sought-after Higgs mechanism in particle physics. Remarkably, our measurements show that the Dirac gap scales with alloy composition, while the magnitude of the distortion remains nearly constant. Based on theoretical calculations, we find the Dirac mass is controlled by the composition-dependent SS penetration depth, which determines the weight of SS in the distorted region that is confined to the surface. Finally, we discover the existence of SS in the non-topological regime, which have the characteristics of gapped, double-branched Dirac fermions.

cond-mat.mes-hall↗

arXiv2014

Topological Crystalline Insulators and Dirac Octets in Anti-perovskites

We predict a new class of topological crystalline insulators (TCI) in the anti-perovskite material family with the chemical formula A$_3$BX. Here the nontrivial topology arises from band inversion between two $J=3/2$ quartets, which is described by a generalized Dirac equation for a "Dirac octet". Our work suggests that anti-perovskites are a promising new venue for exploring the cooperative interplay between band topology, crystal symmetry and electron correlation.

cond-mat.str-el↗

arXiv2014

Quantum Spin Hall Effect and Topological Field Effect Transistor in Two-Dimensional Transition Metal Dichalcogenides

We report a new class of large-gap quantum spin Hall insulators in two-dimensional transition metal dichalcogenides, namely, MX$_2$ with M=(Mo, W) and X=(S, Se, and Te), whose topological electronic properties are highly tunable by external electric field. We propose a novel topological field effect transistor made of these atomic layer materials and their van der Waals heterostructures. Our device exhibits parametrically enhanced charge-spin conductance through topologically protected transport channels, and can be rapidly switched off by electric field through topological phase transition instead of carrier depletion. Our work provides a practical material platform and device architecture for topological quantum electronics.

cond-mat.mes-hall↗

arXiv2014

Experimental observation of Dirac-like surface states and topological phase transition in Pb$_{1-x}$Sn$_x$Te(111) films

The surface of a topological crystalline insulator (TCI) carries an even number of Dirac cones protected by crystalline symmetry. We epitaxially grew high quality Pb$_{1-x}$Sn$_x$Te(111) films and investigated the TCI phase by in-situ angle-resolved photoemission spectroscopy. Pb$_{1-x}$Sn$_x$Te(111) films undergo a topological phase transition from trivial insulator to TCI via increasing the Sn/Pb ratio, accompanied by a crossover from n-type to p-type doping. In addition, a hybridization gap is opened in the surface states when the thickness of film is reduced to the two-dimensional limit. The work demonstrates an approach to manipulating the topological properties of TCI, which is of importance for future fundamental research and applications based on TCI.

cond-mat.mtrl-sci↗

arXiv2014

Functionalized Germanene as a Prototype of Large-Gap Two-Dimensional Topological Insulators

We propose new two-dimensional (2D) topological insulators (TIs) in functionalized germanenes (GeX, X=H, F, Cl, Br or I) using first-principles calculations. We find GeI is a 2D TI with a bulk gap of about 0.3 eV, while GeH, GeF, GeCl and GeBr can be transformed into TIs with sizeable gaps under achievable tensile strains. A unique mechanism is revealed to be responsible for large topologically-nontrivial gap obtained: owing to the functionalization, the $σ$ orbitals with stronger spin-orbit coupling (SOC) dominate the states around the Fermi level, instead of original $π$ orbitals with weaker SOC; thereinto, the coupling of the $p_{xy}$ orbitals of Ge and heavy halogens in forming the $σ$ orbitals also plays a key role in the further enlargement of the gaps in halogenated germanenes. Our results suggest a realistic possibility for the utilization of topological effects at room temperature.

cond-mat.mtrl-sci↗

arXiv2013

Spin-filtered Edge States with an Electrically Tunable Gap in a Two-Dimensional Topological Crystalline Insulator

Three-dimensional topological crystalline insulators were recently predicted and observed in the SnTe class of IV-VI semiconductors, which host metallic surface states protected by crystal symmetries. In this work, we study thin films of these materials and expose their potential for device applications. We demonstrate that thin films of SnTe and Pb(1-x)Sn(x)Se(Te) grown along the (001) direction are topologically nontrivial in a wide range of film thickness and carry conducting spin-filtered edge states that are protected by the (001) mirror symmetry via a topological invariant. Application of an electric field perpendicular to the film will break the mirror symmetry and generate a band gap in these edge states. This functionality motivates us to propose a novel topological transistor device, in which charge and spin transport are maximally entangled and simultaneously controlled by an electric field. The high on/off operation speed and coupling of spin and charge in such a device may lead to electronic and spintronic applications for topological crystalline insulators.

cond-mat.mes-hall↗

arXiv2013

Weak Topological Insulators in PbTe/SnTe Superlattices

It is desirable to realize topological phases in artificial structures by engineering electronic band structures. In this paper, we investigate $(PbTe)_m(SnTe)_{2n-m}$ superlattices along [001] direction and find a robust weak topological insulator phase for a large variety of layer numbers m and 2n-m. We confirm this topologically non-trivial phase by calculating Z2 topological invariants and topological surface states based on the first-principles calculations. We show that the folding of Brillouin zone due to the superlattice structure plays an essential role in inducing topologically non-trivial phases in this system. This mechanism can be generalized to other systems in which band inversion occurs at multiple momenta, and gives us a brand-new way to engineer topological materials in artificial structures.

cond-mat.mtrl-sci↗

arXiv2013

Surface States of Topological Crystalline Insulators in IV-VI Semiconductors

Topological crystalline insulators (TCI) are new topological phases of matter protected by crystal symmetry of solids. Recently, the first realization of TCI has been predicted and observed in IV-VI semiconductor SnTe and related alloys Pb_{1-x}Sn_{x}(Te, Se). By combining k.p theory and band structure calculation, we present a unified approach to study topological surface states on various crystal surfaces of TCI in IV-VI semiconductors. We explicitly derive k.p Hamiltonian for topological surface states from electronic structure of the bulk, thereby providing a microscopic understanding of bulk-boundary correspondence in TCI. Depending on the surface orientation, we find two types of surface states with qualitatively different properties. In particular, we predict that (111) surface states consist of four Dirac cones centered at time-reversal-invariant momenta Γ and M, while (110) surface states consist of Dirac cones at non-time-reversal-invariant momenta, similar to (001). Moreover, both (001) and (110) surface states exhibit a Lifshitz transition as a function of Fermi energy, which is accompanied by a Van-Hove singularity in density of states arising from saddle points in the band structure.

cond-mat.mtrl-sci↗

arXiv2012

Topological Crystalline Insulators in the SnTe Material Class

Topological crystalline insulators are new states of matter in which the topological nature of electronic structures arises from crystal symmetries. Here we predict the first material realization of topological crystalline insulator in the semiconductor SnTe, by identifying its nonzero topological index. We predict that as a manifestation of this nontrivial topology, SnTe has metallic surface states with an even number of Dirac cones on high-symmetry crystal surfaces such as {001}, {110} and {111}. These surface states form a new type of high-mobility chiral electron gas, which is robust against disorder and topologically protected by reflection symmetry of the crystal with respect to {110} mirror plane. Breaking this mirror symmetry via elastic strain engineering or applying an in-plane magnetic field can open up a continuously tunable band gap on the surface, which may lead to wide-ranging applications in thermoelectrics, infrared detection, and tunable electronics. Closely related semiconductors PbTe and PbSe also become topological crystalline insulators after band inversion by pressure, strain and alloying.

cond-mat.mtrl-sci↗