arXiv subjects

Cheng-Cheng Liu

Publications and source records attributed to Cheng-Cheng Liu.

At least 55 records · Page 3Linked to original sources

arXiv2018

Cat's cradle-like Dirac semimetals in layer groups with multiple screw axes: Application to 2D Borophene and Borophane

Recently, the crystal symmetry-protected topological semimetals have aroused extensive interests, especially for the nonsymmorphic symmetry-protected one. We list the possible nonmagnetic topological semimetals and develop their k.p Hamiltonian in all layer groups with multiple screw axes in the absence of spin-orbital coupling. We find a novel cat's cradle-like topological semimetal phase, which looks like multiple hourglass-like band structures staggered together. Furthermore, we propose the monolayer borophene and borophane with pmmn layer group as the first material class to realize such novel semimetal phase. A pair of tilted anisotropic Dirac cones at the Fermi level is revealed in the two-dimensional boron-based materials and the low-energy effective models are given. Moreover, akin to three-dimensional Weyl semimetal, the topological property of these cat's cradle-like Dirac semimetals can be verified by the calculation of quantized Berry phase and the demonstration of flat Fermi-arc edge state connecting two Dirac points as well. Our finding that borophene and borophane are cat's cradle-like Dirac semimetals is of great interest for experiment and possible applications in the future.

cond-mat.mtrl-sci↗

arXiv2018

Hourglass-like Nodal Net Semimetal in Ag2BiO3

Based on first-principles calculation and analysis of crystal symmetries, we propose a kind of hourglass-like nodal net (HNN) semimetal in centrosymmetric Ag2BiO3 that is constructed by two hourglass-like nodal chains (HNCs) at mutually orthogonal planes in the extended Brillouin zone (BZ) when the weak spin-orbit coupling (SOC) mainly from the 6s orbital of Bi atoms is ignored. The joint point in the nodal net structure is a special double Dirac point located at the BZ corner. Different from previous HNN [Bzdusek et al., Nature 538, 75 (2016)] where the SOC and double groups nonsymmorphic symmetries are necessary, and also different from the accidental nodal net, this HNN structure is inevitably formed and guaranteed by spinless nonsymmorphic symmetries, and thus robust against any symmetry-remaining perturbations. The Fermi surface in Ag2BiO3 consisting of a torus-like electron pocket and a torus-like hole pocket may lead to unusual transport properties. A simple four-band tight-binding model is built to reproduce the HNN structure. For a semi-infinite Ag2BiO3 , the "drumhead" like surface states with nearly flat dispersions are demonstrated on (001) and (100) surfaces, respectively. If such weak SOC effect is taken into consideration, this HNN structure will be slightly broken, left a pair of hourglass-like Dirac points at the two-fold screw axis. This type of hourglass-like Dirac semimetal is symmetry-enforced and does not need band inversion anymore. Our discovery provides a new platform to study novel topological semimetal states from nonsymmorphic symmetries.

cond-mat.mtrl-sci↗

arXiv2018

Monolayer group-III monochalcogenides by oxygen functionalization: a promising class of two-dimensional topological insulators

Monolayer group-III monochalcogenides (MX, M = Ga, In; X = S, Se, Te), an emerging category of two-dimensional (2D) semiconductors, hold great promise for electronics, optoelectronics and catalysts. By first-principles calculations, we show that the phonon dispersion and Raman spectra as well as the electronic and topological properties of monolayer MX can be tuned by oxygen functionalization. Chemisorption of oxygen atoms on one side or both sides of the MX sheet narrows or even closes the band gap, enlarges work function, and significantly reduces the carrier effective mass. More excitingly, InS, InSe and InTe monolayers with double-side oxygen functionalization are 2D topological insulators with sizeable bulk gap up to 0.21 eV. Their low-energy bands near the Fermi level are dominated by the px and py orbitals of atoms, allowing band engineering via in-plane strains. Our studies provide viable strategy for realizing quantum spin Hall effect in monolayer group-III monochalcogenides at room temperature, and utilizing these novel 2D materials for high-speed and dissipationless transport devices.

cond-mat.mtrl-sci↗

arXiv2018

Nodal line semimetal states in positive electrode material of lead-acid battery: Lead dioxide family and its derivatives

Based on first-principles calculations and symmetry analysis, we report that the three-dimensional (3D) nodal line (NL) semimetal phases can be realized in the lead dioxide family (\emph{$α$}-PbO$_2$ and \emph{$β$}-PbO$_2$) and its derivatives. The \emph{$β$}-PbO$_2$ features two orthogonal nodal rings around the Fermi level, protected by the mirror reflection symmetry. The effective model is developed and the related parameters are given by fitting with the HSE06 band structures. The NLs mainly come from the $p$ orbitals of the light element O and are rather robust against such tiny spin-orbit coupling. The NL phase of the \emph{$α$}-PbO$_2$ can be effectively tailored by strain, making a topological phase transition between a semiconductor phase and a NL phase. In addition, the exploration of \emph{$β$}-PbO$_2$ derivatives (i.e. \emph{$β$}-PbS$_2$ and \emph{$β$}-PbSe$_2$) and confirmation of their topological semimetallicity greatly enrich the NL semimetal family. These findings pave a route for designing topological NL semimetals and spintronic devices based on realistic PbO$_2$ family.

cond-mat.mtrl-sci↗

arXiv2018

Mirror Protected Multiple Nodal Line Semimetals and Material Realization

The conventional k.p method fails to capture the full and essential physics of many symmetry enriched multiple nodal line structures in the three dimensional Brillouin zone. Here we present a new and systematical method to construct the effective lattice model of mirror symmetry protected three-dimensional multiple nodal line semimetals, when the spin-orbit interaction is ignored. For systems with a given pair of perpendicular nodal rings, we obtain all the effective lattice models and eleven inequivalent nodal line Fermi surfaces together with their related constraints. By means of first-principles calculations, we first propose a family of real materials, beta phase of ternary nitrides X2GeN2 (X = Ca; Sr; Ba), that support one kind of these novel Fermi surfaces. Therefore, our work deepens the understanding of the nodal line structures and promotes the experimental progress of topological nodal line semimetals.

cond-mat.mtrl-sci↗

arXiv2018

High-Temperature Majorana Corner States

Majorana bound states often occur at the end of 1D topological superconductor or at the $π$ Josephson junction mediated by a helical edge state. Validated by a new bulk invariant and an intuitive edge argument, we show the emergence of one Majorana Kramers pair at each corner of a square-shaped 2D topological insulator proximitized by an $s_\pm$-wave (e.g., Fe-based) superconductor. We obtain a phase diagram that emphasizes the roles of bulk parameters and edge orientations. We propose several experimental realizations in lattice-matched candidate materials. Our scheme offers a high-temperature platform for exploring higher-order non-Abelian quasiparticles.

cond-mat.mes-hall↗

arXiv2018

Floquet High Chern Insulators in Periodically Driven Chirally Stacked Multilayer Graphene

Chirally stacked $N$-layer graphene is a semimetal with $\pm p^N$ band-touching at two nonequivalent corners in its Brillioun zone. We predict that an off-resonant circularly polarized light (CPL) drives chirally stacked $N$-layer graphene into a Floquet Chern Insulators (FCIs), a.k.a. quantum anomalous Hall insulators, with tunable high Chern number $C_F=\pm N$ and large gaps. A topological phase transition between such a FCI and a valley Hall (VH) insulator with high valley Chern number $C_v=\pm N$ induced by a voltage gate can be engineered by the parameters of the CPL and voltage gate. We propose a topological domain wall between the FCI and VH phases, along which perfectly valley-polarized $N$-channel edge states propagate unidirectionally without backscattering.

cond-mat.mes-hall↗

arXiv2017

From Node-Line Semimetals to Large Gap QSH States in New Family of Pentagonal Group-IVA Chalcogenide

Two-dimensional (2D) topological insulators (TIs) have attracted tremendous research interest from both theoretical and experimental fields in recent years. However, it is much less investigated in realizing node line (NL) semimetals in 2D materials.Combining first-principles calculations and $k \cdot p$ model, we find that NL phases emerge in p-CS$_2$ and p-SiS$_2$, as well as other pentagonal IVX$_2$ films, i.e. p-IVX$_2$ (IV= C, Si, Ge, Sn, Pb; X=S, Se, Te) in the absence of spin-orbital coupling (SOC). The NLs in p-IVX$_2$ form symbolic Fermi loops centered around the $Γ$ point and are protected by mirror reflection symmetry. As the atomic number is downward shifted, the NL semimetals are driven into 2D TIs with the large bulk gap up to 0.715 eV induced by the remarkable SOC effect.The nontrivial bulk gap can be tunable under external biaxial and uniaxial strain. Moreover, we also propose a quantum well by sandwiching p-PbTe$_2$ crystal between two NaI sheets, in which p-PbTe$_2$ still keeps its nontrivial topology with a sizable band gap ($\sim$ 0.5 eV). These findings provide a new 2D materials family for future design and fabrication of NL semimetals and TIs.

cond-mat.mtrl-sci↗

arXiv2017

Discovery of two-dimensional Dirac nodal line fermions in monolayer Cu2Si

Topological nodal line semimetals, a novel quantum state of materials, possess topologically nontrivial valence and conduction bands that touch at a line near the Fermi level. The exotic band structure can lead to various novel properties, such as long-range Coulomb interaction and flat Landau levels. Recently, topological nodal lines have been observed in several bulk materials, such as PtSn4, ZrSiS, TlTaSe2 and PbTaSe2. However, in two-dimensional materials, experimental research on nodal line fermions is still lacking. Here, we report the discovery of two-dimensional Dirac nodal line fermions in monolayer Cu2Si based on combined theoretical calculations and angle-resolved photoemission spectroscopy measurements. The Dirac nodal lines in Cu2Si form two concentric loops centred around the Γ point and are protected by mirror reflection symmetry. Our results establish Cu2Si as a new platform to study the novel physical properties in two-dimensional Dirac materials and provide new opportunities to realize high-speed low-dissipation devices.

cond-mat.mtrl-sci↗

arXiv2017

Topological, Valleytronic, and Optical Properties of Monolayer PbS

We systematically examine the topological, valleytronic, and optical properties of experimentally accessible PbS (001) few-layers, with a focus on the monolayer. With even-odd layer-dependent oscillations and without band inversions, the band gaps cover a wide spectrum from infrared to visible, making the few-layers promising for optoelectronics. Intriguingly, the uniaxial (biaxial) compressive strain can tune the trivial monolayer into a $\mathcal{Z}_2$-topological (topological crystalline) insulator, which may be utilized for controllable low-power electronic devices. Although elliptical dichroism vanishes in the monolayer due to inversion symmetry, optical pumping provides an efficient tool to characterize the three phases and to realize charge, spin, and valley Hall effects in optoelectronic transport that are tunable by external strain and light ellipticity.

cond-mat.mes-hall↗

arXiv2017

Odd-integer quantum Hall states and giant spin susceptibility in p-type few-layer WSe2

We fabricate high-mobility p-type few-layer WSe2 field-effect transistors and surprisingly observe a series of quantum Hall (QH) states following an unconventional sequence predominated by odd-integer states under a moderate strength magnetic field. By tilting the magnetic field, we discover Landau level (LL) crossing effects at ultra-low coincident angles, revealing that the Zeeman energy is about three times as large as the cyclotron energy near the valence band top at Γ valley. This result implies the significant roles played by the exchange interactions in p-type few-layer WSe2, in which itinerant or QH ferromagnetism likely occurs. Evidently, the Γ valley of few-layer WSe2 offers a unique platform with unusually heavy hole-carriers and a substantially enhanced g-factor for exploring strongly correlated phenomena.

cond-mat.mes-hall↗

arXiv2016

A new kind of 2D topological insulators BiCN with a giant gap and its substrate effects

Based on DFT calculation, we predict that BiCN, i.e., bilayer Bi films passivated with -CN group, is a novel 2D Bi-based material with highly thermodynamic stability, and demonstrate that it is also a new kind of 2D TI with a giant SOC gap (? 1 eV) by direct calculation of the topological invariant Z2 and obvious exhibition of the helical edge states. Monolayer h-BN and MoS2 are identified as good candidate substrates for supporting the nontrivial topological insulating phase of the 2D TI films, since the two substrates can stabilize and weakly interact with BiCN via van derWaals interaction and thus hardly affect the electronic properties, especially the band topology. The topological properties are robust against the strain and electric field. This may provide a promising platform for realization of novel topological phases.

cond-mat.mes-hall↗

arXiv2016

van der Waals Heterostructures of Germanene, Stanene and Silicene with Hexagonal Boron Nitride and Their Topological Domain Walls

We investigate van der Waals (vdW) heterostructures made of germanene, stanene or silicene with hexagonal Boron Nitride (h-BN). The intriguing topological properties of these buckled honeycomb materials can be maintained and further engineered in the heterostructures, where the competition between the substrate effect and external electric fields can be used to control the tunable topological phase transitions. Using such heterostructures as building blocks, various vdW topological domain walls (DW) are designed, along which there exist valley polarized quantum spin Hall edge states or valley-contrasting edge states which are protected by valley(spin)- resolved topological charges and can be tailored by the patterning of the heterojunctions and by external fields.

cond-mat.mes-hall↗

arXiv2015

Weak Topological Insulators and Composite Weyl Semimetals: $β$-Bi$_{4}$X$_{4}$ (X=Br, I)

While strong topological insulators (STI) have been experimentally realized soon after their theoretical predictions, a weak topological insulator (WTI) has yet to be unambiguously confirmed. A major obstacle is the lack of distinct natural cleavage surfaces to test the surface selective hallmark of WTI. With a new scheme, we discover that Bi$_{4}$X$_{4}$ (X=Br, I), stable or synthesized before, can be WTI with two natural cleavage surfaces, where two anisotropic Dirac cones stabilize and annihilate, respectively. We further find four surface state Lifshitz transitions under charge doping and two bulk topological phase transitions under uniaxial strain. Near the WTI-STI transition, there emerges a novel Weyl semimetal phase, in which the Fermi arcs generically appear at both cleavage surfaces whereas the Fermi circle only appears at one selected surface.

cond-mat.mes-hall↗

arXiv2015

Large-Gap Quantum Spin Hall Insulator in single layer bismuth monobromide Bi$_{4}$Br$_{4}$

Quantum spin Hall (QSH) insulators have gapless topological edge states inside the bulk band gap, which can serve as dissipationless spin current channels protected by the time-reversal symmetry. The major challenge currently is to find suitable materials for this topological state. Here, we predict a new large-gap QSH insulator with bulk direct band gap of $\sim$0.18 eV, in single-layer Bi$_{4}$Br$_{4}$, which could be exfoliated from its three-dimensional bulk material due to the weakly-bonded layered structure. The band gap of single-layer Bi$_{4}$Br$_{4}$ is tunable via strain engineering, and the QSH phase is robust against external strain. In particular, because this material consists of special one-dimensional molecular chain as its basic building block, the single layer Bi$_{4}$Br$_{4}$ could be easily torn to ribbons with clean and atomically sharp edges, which are much desired for the observation and application of topological edge states. Our work thus provides a new promising material for experimental studies and practical applications of QSH effect.

cond-mat.mtrl-sci↗

arXiv2015

Valley-polarized quantum anomalous Hall phases and tunable topological phase transitions in half-hydrogenated Bi honeycomb monolayers

Based on first-principles calculations, we find novel valley-polarized quantum anomalous Hall (VP-QAH) phases with a large gap-0.19 eV at an appropriate buckled angle and tunable topological phase transitions driven by the spontaneous magnetization within a half-hydrogenated Bi honeycomb monolayer. Depending on the magnetization orientation, four different phases can emerge, i.e., two VP-QAH phases, ferromagnetic insulating and metallic states. When the magnetization is reversed from the +$\mathbf{z}$ to -$\mathbf{z}$ directions, accompanying with a sign change in the Chern number (from -1 to +1), the chiral edge state is moved from valley $K$ to $K'$. Our findings provide a platform for designing dissipationless electronics and valleytronics in a more robust manner through the tuning of the magnetization orientation.

cond-mat.mtrl-sci↗

arXiv2015

Time-reversal-invariant topological superconductivity in n-doped BiH

Intrinsic and symmetry protected topological states have attracted lots of interest in condensed matter physics recently. In particular, time reversal symmetry protected fermion topological insulators have been theoretically predicted and experimentally verified. However despite considerable experimental and theoretical works, definitive evidence for time reversal invariant topological superconductivity is still lacking. Here we propose that upon electron doping the hydrogenated single bilayer Bi, namely BiH, will exhibit time reversal invariant topological superconductivity. If confirmed experimentally this material will constitute the first example of TRI topological superconductor.

cond-mat.str-el↗

arXiv2014

Quantum spin Hall insulators and quantum valley Hall insulators of BiX/SbX (X = H, F, Cl, and Br) monolayers with a record bulk band gap

Large bulk band gap is critical for application of the quantum spin Hall (QSH) insulator or two dimensional (2D) topological insulator (TI) in spintronic device operating at room temperature (RT). Based on the first-principles calculations, here we predict a group of 2D topological insulators BiX/SbX (X = H, F, Cl, and Br) monolayers with extraordinarily large bulk gaps from 0.32 to a record value of 1.08 eV. These giant-gaps are entirely due to the result of strong spin-orbit interaction related to px and py orbitals of Bi/Sb atoms around the two valley K and K' of honeycomb lattice, which is different significantly from the one consisted of pz orbital just like in graphene/silicene. The topological characteristic of BiX/SbX monolayers is confirmed by the calculated nontrivial Z2 index and an explicit construction of the low energy effective Hamiltonian in these systems. We show that the honeycomb structures of BiX monolayers remain stable even at a temperature of 600 K. These features make the giant-gap TIs BiX/SbX monolayers an ideal platform to realize many exotic phenomena and fabricate new quantum devices operating at RT. Furthermore, biased BiX/SbX monolayers become a quantum valley Hall insulator, showing valley-selective circular dichroism.

cond-mat.mtrl-sci↗