arXiv subjects

Dingyu Xing

Publications and source records attributed to Dingyu Xing.

At least 37 records · Page 2Linked to original sources

arXiv2018

Topological Phase Transition-Induced Tri-Axial Vector Magnetoresistance in (Bi1-xInx)2Se3 Nanodevices

We report the study of a tri-axial vector magnetoresistance (MR) in nonmagnetic (Bi1-xInx)2Se3 nanodevices at the composition of x = 0.08. We show a dumbbell-shaped in-plane negative MR up to room temperature as well as a large out-of-plane positive MR. MR at three directions is about in a -3%: -1%: 225% ratio at 2 K. Through both the thickness and composition-dependent magnetotransport measurements, we show that the in-plane negative MR is due to the topological phase transition enhanced intersurface coupling near the topological critical point. Our devices suggest the great potential for room-temperature spintronic applications, for example, vector magnetic sensors.

physics.app-ph↗

arXiv2017

Superhard and Superconducting B6C

Crystal structure searching and ab initio calculations have been used here to explore low-energy structures of boron carbides under high pressure. Under pressures of 85-110 GPa, a metastable B6C with R-3m symmetry is found to be energetically more stable than the mixture of previous B4C and elemental boron. This B6C is a rhombohedral structure and contains mooncake-like B24 clusters with stuffing of C2 pairs. The mechanical and dynamical stabilities of this structure at ambient pressure are confirmed by its elastic constants and phonon dispersions. The bulk modulus and shear modulus of this newly predicted B6C at ambient pressure reach high values of 291 GPa and 272 GPa, respectively. The Vickers hardness is calculated to be around 48 GPa, and its melting temperature at ambient pressure is estimated to be around 2500 K, indicating that this metastable B6C is a potential superhard material with very good thermal stability. Interestingly, this superhard B6C structure is also found to be superconducting and its superconducting critical temperature (Tc) is evaluated to be around 12.5 K at ambient pressure by electron-phonon coupling.

cond-mat.mtrl-sci↗

arXiv2017

Nonsymmorphic symmetry protected node-line semimetal in the trigonal YH3

Using ab initio calculations based on density-functional theory and effective model analysis, we propose that the trigonal YH3(Space Group: P-3c1) at ambient pressure is a node-line semimetal when spin-orbit coupling (SOC) is ignored. This trigonal YH3 has very clean electronic structure near Fermi level and its nodal lines locate very closely to the Fermi energy, which makes it a perfect system for model analysis. Symmetry analysis shows that the nodal ring in this compound is protected by the glide-plane symmetry, where the band inversion of |Y+,dxz> and |H1-,s> orbits at Gamma point is responsible for the formation of the nodal lines. When SOC is included, the line nodes are prohibited by the glide-plane symmetry, and a small gap (~5 meV) appears, which leads YH3 to be a strong topological insulator with Z2 indices (1,000). Thus the glide-plane symmetry plays an opposite role in the formation of the nodal lines in cases without and with SOC. As the SOC-induced gap is so small that can be neglected, this P-3c1 YH3 may be a good candidate for experimental explorations on the fundamental physics of topological node-line semimetals. We find the surface states of this P-3c1 phase are somehow unique and may be helpful to identify the real ground state of YH3 in the experiment.

cond-mat.mtrl-sci↗

arXiv2017

Silicon clathrates for photovoltaics predicted by a two-step crystal structure search

Silicon in a cubic diamond structure currently plays a significant role in the photovoltaic industry. However, the intrinsic band structures of crystalline silicon restrict its sunlight conversion efficiency. Recently, a clathrate-like Si-24 has been successfully synthesized, which has a quasi-direct bandgap and sheds light on silicon-based photovoltaics. Here, we proposed a two-step crystal structure search method based on first-principles calculations and explored silicon clathrate structures extensively. First, the guest-host compounds were searched at high pressure, and then, the porous guest-free silicon clathrates were obtained by removing the guest atoms. Using potassium as the guest atom, we identified four metastable silicon clathrate structures, and some of them have bandgaps close to the optimal range of the Shockley-Queisser limit and have a better absorption rate than the cubic diamond silicon. These silicon clathrates may have promising value in photovoltaic applications.

cond-mat.mtrl-sci↗

arXiv2017

Observation of Coulomb gap in the quantum spin Hall candidate single-layer 1T'-WTe$_2$

The two-dimensional topological insulators (2DTI) host a full gap in the bulk band, induced by spin-orbit coupling (SOC) effect, together with the topologically protected gapless edge states. However, the SOC-induced gap is usually small, and it is challenging to suppress the bulk conductance and thus to realize the quantum spin Hall (QSH) effect. In this study, we find a novel mechanism to effectively suppress the bulk conductance. By using the quasiparticle interference (QPI) technique with scanning tunneling spectroscopy (STS), we demonstrate that the QSH candidate single-layer 1T'-WTe$_2$ has a semi-metal bulk band structure with no full SOC-induced gap. Surprisingly, in this two-dimensional system, we find the electron interactions open a Coulomb gap which is always pinned at the Fermi energy (E$_F$). The opening of the Coulomb gap can efficiently diminish the bulk state at the E$_F$ and is in favor of the observation of the quantized conduction of topological edge states.

cond-mat.mes-hall↗

arXiv2017

High-pressure phases of Weyl semimetals NbP, NbAs, TaP and TaAs

The high pressure phase diagrams of TaAs family (NbP, NbAs, TaP and TaAs) are explored systematically using crystal structure search together with first-principles calculations. Our calculations show that NbAs and TaAs have similar phase diagrams and possess the same structural phase transition sequence of I41md $\rightarrow$ P-6m2 $\rightarrow$ P21/c $\rightarrow$ Pm-3m, with a bit different transition pressures. The phase transition sequence of NbP and TaP are somewhat different from that of NbAs and TaAs. In which new structures emerge, for instance, the Cmcm structure in NbP and the Pmmn structure in TaP. It is found interestingly that in the electronic structure of the high-pressure phase P-6m2-NbAs, there are Weyl points and triple degenerate points coexisted, similar to the high-pressure P-6m2-TaAs.

cond-mat.mtrl-sci↗

arXiv2017

High temperature superconducting phase of HBr under pressure predicted by first-principles calculations

The high pressure phases of HBr are explored with an ab initio crystal structure search. By taking into account the contribution of zero-point energy (ZPE), we find that the P4/nmm phase of HBr is thermodynamically stable in the pressure range from 150 to 200 GPa. The superconducting critical temperature (Tc) of P4/nmm HBr is evaluated to be around 73 K at 170 GPa, which is the highest record so far among binary halogen hydrides. Its Tc can be further raised to around 95K under 170 GPa if half of the bromine atoms in the P4/nmm HBr are substituted by the lighter chlorine atoms. Our study shows that, in addition to lower mass, higher coordination number, shorter bonds, and more highly symmetric environment for the hydrogen atoms are important factors to enhance the superconductivity in hydrides.

cond-mat.supr-con↗

arXiv2017

Strain-induced quantum topological phase transitions in Na3Bi

Strain can be used as an effective tool to tune the crystal structure of materials and hence to modify their electronic structures, including topological properties. Here, taking Na3Bi as a paradigmatic example, we demonstrated with first-principles calculations and k$\cdot$p models that the topological phase transitions can be induced by various types of strains. For instance, the Dirac semimetal phase of ambient Na3Bi can be tuned into a topological insulator (TI) phase by uniaxial strain along the h100i axis. Hydrostatic pressure can let the ambient structure transfer into a new thermodynamically stable phase with Fm-3m symmetry, coming with a perfect parabolic semimetal having a single contact point between the conduction and valence bands, exactly at $Γ$ point on the Fermi level like $α$-Sn. Furthermore, uniaxial strain in the <100> direction can tune the new parabolic semimetal phase into a Dirac semimetal, while shear strains in both the <100> and <111> directions can take the new parabolic semimetal phase into a TI. k$\cdot$p models are constructed to gain more insights into these quantum topological phase transitions. At last, we calculated surface states of Fm-3m Na3Bi without and with strains to verify these topological transitions.

cond-mat.mtrl-sci↗

arXiv2017

Direct Visualization of 2D Topological Insulator in Single-layer 1T'-WTe2

We grow nearly freestanding single-layer 1T'-WTe2 on graphitized 6H-SiC(0001) by using molecular beam epitaxy (MBE), and characterize its electronic structure with scanning tunneling microscopy / spectroscopy (STM/STS). We demonstrate the existence of topological edge states at the periphery of single-layer WTe2 islands. Surprisingly, we also find a band gap in the bulk and the semiconducting behaviors of the single-layer WTe2 at low temperature, which is likely resulted from an incommensurate charge density wave (CDW) transition. The realization of two-dimensional topological insulators (2D TIs) in single-layer transition metal dichalcogenide (TMD) thus provides a promising platform for further exploration of the 2D TIs' physics and related applications.

cond-mat.mtrl-sci↗

arXiv2017

Line nodes and surface Majorana flat bands in static and kicked p-wave superconducting Harper model

We investigate the effect of introducing nearest-neighbor $p$-wave superconducting pairing to both the static and kicked extended Harper model with two periodic phase parameters acting as artificial dimensions to simulate three-dimensional systems. It is found that in both the static model and the kicked model, by varying the $p$-wave pairing order parameter, the system can switch between a fully gapped phase and a gapless phase with point nodes or line nodes. The topological property of both the static and kicked model is revealed by calculating corresponding topological invariants defined in the one-dimensional lattice dimension. Under open boundary conditions along the physical dimension, Majorana flat bands at energy zero (quasienergy zero and $π$) emerge in the static (kicked) model at the two-dimensional surface Brillouin zone. For certain values of pairing order parameter, (Floquet) Su-Schrieffer-Heeger-like edge modes appear in the form of arcs connecting different (Floquet) Majorana flat bands. Finally, we find that in the kicked model, it is possible to generate two controllable Floquet Majorana modes, one at quasienergy zero and the other at quasienergy $π$, at the same parameter values.

cond-mat.mes-hall↗

arXiv2017

Pressure-induced metallization and superconducting phase in ReS2

Among the family of TMDs, ReS2 takes a special position, which crystalizes in a unique distorted low-symmetry structure at ambient conditions. The interlayer interaction in ReS2 is rather weak, thus its bulk properties are similar to that of monolayer. However, how does compression change its structure and electronic properties is unknown so far. Here using ab initio crystal structure searching techniques, we explore the high-pressure phase transitions of ReS2 extensively and predict two new high-pressure phases. The ambient pressure phase transforms to a "distorted-1T" structure at very low pressure and then to a tetragonal I41/amd structure at around 90 GPa. The "distorted-1T" structure undergoes a semiconductor-metal transition (SMT) at around 70 GPa with a band overlap mechanism. Electron-phonon calculations suggest that the I41/amd structure is superconducting and has a critical superconducting temperature of about 2 K at 100 GPa. We further perform high-pressure electrical resistance measurements up to 102 GPa. Our experiments confirm the SMT and the superconducting phase transition of ReS2 under high pressure. These experimental results are in good agreement with our theoretical predictions.

cond-mat.mtrl-sci↗

arXiv2017

Stepwise quantized surface states and delayed Landau level hybridization in Co cluster-decorated BiSbTeSe2 topological insulator devices

In three-dimensional topological insulators (TIs), the nontrivial topology in their electronic bands casts a gapless state on their solid surfaces, using which dissipationless TI edge devices based on the quantum anomalous Hall (QAH) effect and quantum Hall (QH) effect have been demonstrated. Practical TI devices present a pair of parallel-transport topological surface states (TSSs) on their top and bottom surfaces. However, due to the no-go theorem, the two TSSs always appear as a pair and are expected to quantize synchronously. Quantized transport of a separate Dirac channel is still desirable, but has never been observed in graphene even after intense investigation over a period of 13 years, with the potential aim of half-QHE. By depositing Co atomic clusters, we achieved stepwise quantization of the top and bottom surfaces in BiSbTeSe2 (BSTS) TI devices. Renormalization group flow diagrams13, 22 (RGFDs) reveal two sets of converging points (CVPs) in the (Gxy, Gxx) space, where the top surface travels along an anomalous quantization trajectory while the bottom surface retains 1/2 e2/h. This results from delayed Landau-level (LL) hybridization (DLLH) due to coupling between Co clusters and TSS Fermions.

cond-mat.mes-hall↗

arXiv2017

Topological Dirac line nodes and superconductivity coexist in SnSe at high pressure

Due to fundamental interest and potential applications in quantum computation, tremendous efforts have been invested to study topological superconductivity. However, bulk topological superconductivity seems to be difficult to realize and its mechanism is still elusive. Several possible routes to induce topological superconductivity have been proposed, including proximity efforts, doping or pressurizing a topological insulator or semimetal. Among them, the pressurizing is considered to be a clean way to tune the electronic structures. Here we report the discovery of a pressure-induced topological and superconducting phase of SnSe, a material which is highly focused recently due to its superior thermoelectric properties. In situ high-pressure electrical transport and synchrotron X-ray diffraction measurements show that the superconductivity emerges along with the formation of a CsCl-type structural symmetry of SnSe above around 27 GPa, with a maximum critical temperature of 3.2 K at 39 GPa. Based on ab initio calculations, this CsCl-type SnSe is predicted to be a Dirac line nodes (DLN) semimetal in the absence of spin-orbit coupling, whose DLN states are protected by the coexistence of time-reversal and inversion symmetries. These results make CsCl-type SnSe an interesting model platform with simple crystal symmetry to study the interplay of topological physics and superconductivity.

cond-mat.mtrl-sci↗

arXiv2016

Gate-Tunable Negative Longitudinal Magnetoresistance in the Predicted Type-II Weyl Semimetal WTe2

The progress in exploiting new electronic materials and devices has been a major driving force in solid-state physics. As a new state of matter, a Weyl semimetal (WSM), particularly a type-II WSM, hosts Weyl fermions as emergent quasiparticles and may harbor novel electrical transport properties because of the exotic Fermi surface. Nevertheless, such a type-II WSM material has not been experimentally observed in nature. In this work, by performing systematic magneto-transport studies on thin films of a predicted material candidate WTe2, we observe notable angle-sensitive (between the electric and magnetic fields) negative longitudinal magnetoresistance (MR), which can likely be attributed to the chiral anomaly in WSM. This phenomenon also exhibits strong planar orientation dependence with the absence of negative longitudinal MR along the tungsten chains (a axis), which is consistent with the distinctive feature of a type-II WSM. By applying a gate voltage, we demonstrate that the Fermi energy can be tuned through the Weyl points via the electric field effect; this is the first report of controlling the unique transport properties in situ in a WSM system. Our results have important implications for investigating simulated quantum field theory in solid-state systems and may open opportunities for implementing new types of electronic applications, such as field-effect chiral electronic devices.

cond-mat.mes-hall↗

arXiv2016

Ideal Weyl semimetals in the chalcopyrites CuTlSe2, AgTlTe2, AuTlTe2 and ZnPbAs2

Weyl semimetals are new states of matter which feature novel Fermi arcs and exotic transport phenomena. Based on first-principles calculations, we report that the chalcopyrites CuTlSe2, AgTlTe2, AuTlTe2 and ZnPbAs2 are ideal Weyl semimetals, having largely separated Weyl points (~ 0.05/A) and uncovered Fermi arcs that are amenable to experimental detections. We also construct a minimal effective model to capture the low-energy physics of this class of Weyl semimetals. Our discovery is a major step toward a perfect playground of intriguing Weyl semimetals and potential applications for low-power and high-speed electronics.

cond-mat.mes-hall↗

arXiv2016

Origin of the superconductivity of WTe2 under pressure

Tungsten ditelluride (WTe2) has attracted significant attention due to its interesting electronic properties, such as the unsaturated magnetoresistance and superconductivity. Recently, it has been proposed to be a new type of Weyl semimetal, which is distinguished from other transition metal dichalcogenides (TMDs) from a topological prospective. Here, we study the structure of WTe2 under pressure with a crystal structure prediction and ab initio calculations combined with high pressure synchrotron X-ray diffraction and Raman spectroscopy measurements. We find that the ambient orthorhombic structure (Td) transforms into a monoclinic structure (1T') at around 4-5 GPa. As the transition pressure is very close to the critical point in recent high-pressure electrical transport measurements, the emergence of superconductivity in WTe2 under pressure is attributed to the Td-1T' structure phase transition, which associates with a sliding mechanism of the TMD layers and results in a shorter Te-Te interlayer distance compared to the intralayer ones. These results highlight the critical role of the interlayer stacking and chalcogen interactions on the electronic and superconducting properties of multilayered TMDs under hydrostatic strain environments.

cond-mat.mtrl-sci↗

arXiv2016

Symmetry-protected ideal Weyl semimetal in HgTe-class materials

Ideal Weyl semimetals with all Weyl nodes exactly at the Fermi level and no coexisting trivial Fermi surfaces in the bulk, similar to graphene, could feature deep physics such as exotic transport phenomena induced by the chiral anomaly. Here, we show that HgTe and half-Heusler compounds, under a broad range of in-plane compressive strain, could be materials in nature realizing ideal Weyl semimetals with four pairs of Weyl nodes and topological surface Fermi arcs. Generically, we find that the HgTe-class materials with nontrivial band inversion and noncentrosymmetry provide a promising arena to realize ideal Weyl semimetals. Such ideal Weyl semimetals could further provide a unique platform to study emergent phenomena such as the interplay between ideal Weyl fermions and superconductivity in the half-Heusler compound LaPtBi.

cond-mat.mes-hall↗

arXiv2016

Robust topological edge states at the perfect surface step edge of topological insulator ZrTe$_5$

We report an atomic-scale characterization of ZrTe$_5$ by using scanning tunneling microscopy. We observe a bulk bandgap of ~80 meV with topological edge states at the step edge, and thus demonstrate ZrTe$_5$ is a two dimensional topological insulator. It is also found that an applied magnetic field induces energetic splitting and spatial separation of the topological edge states, which can be attributed to a strong link between the topological edge states and bulk topology. The perfect surface steps and relatively large bandgap make ZrTe$_5$ be a potential candidate for future fundamental studies and device applications.

cond-mat.mtrl-sci↗