arXiv subjects

Peng-Jie Guo

Publications and source records attributed to Peng-Jie Guo.

51 records · Page 3Linked to original sources

arXiv2021

Topological properties of Mo$_{2}$C and W$_{2}$C superconductors

The topological electronic properties of orthorhombic-phase Mo$_{2}$C and W$_{2}$C superconductors have been studied based on first-principles electronic structure calculations. Our studies show that both Mo$_{2}$C and W$_{2}$C are three-dimensional strong topological insulators defined on curved Fermi levels. The topological surface states on the (001) surface of Mo$_{2}$C right cross the Fermi level, while those of W$_{2}$C pass through the Fermi level with slight electron doping. These surface states hold helical spin textures and can be induced to become superconducting via a proximity effect, giving rise to an equivalent $p+ip$ type superconductivity. Our results show that Mo$_{2}$C and W$_{2}$C can provide a promising platform for exploring topological superconductivity and Majorana zero modes.

cond-mat.supr-con↗

arXiv2019

Quantum spin Hall effect in monolayer and bilayer TaIrTe$_{4}$

Generally, stacking two quantum spin Hall insulators gives rise to a trivial insulator. Here, based on first-principles electronic structure calculations, we confirm that monolayer TaIrTe$_{4}$ is a quantum spin Hall insulator and remarkably find that bilayer TaIrTe$_{4}$ is still a quantum spin Hall insulator. Theoretical analysis indicates that the covalent-like interlayer interaction in combination with the small bandgap at time-reversal invariant $Γ$ point results in new band inversion in bilayer TaIrTe$_{4}$, namely, the emergence of quantum spin Hall phase. Meanwhile, a topological phase transition can be observed by increasing the interlayer distance in bilayer TaIrTe$_{4}$. Considering that bulk TaIrTe$_{4}$ is a type-II Weyl semimetal, layered TaIrTe$_{4}$ thus provides an ideal platform to realize different topological phases at different dimensions.

cond-mat.mtrl-sci↗

arXiv2019

Interlayer quantum transport in Dirac semimetal BaGa$_2$

Quantum limit is quite easy to achieve once the band crossing exists exactly at the Fermi level ($E_F$) in topological semimetals. In multilayered Dirac fermion system, the density of Dirac fermions on the zeroth Landau levels (LLs) increases in proportion to the magnetic field, resulting in intriguing angle- and field-dependent interlayer tunneling conductivity near the quantum limit. BaGa$_2$ is an example of multilayered Dirac semimetal with anisotropic Dirac cone close to $E_F$, providing a good platform to study its interlayer transport properties. In this paper, we report the negative interlayer magnetoresistance (NIMR, I//c and B//c) induced by the tunneling of Dirac fermions on the zeroth LLs of neighbouring Ga layers in BaGa$_2$. When the field deviates from the c-axis, the interlayer resistivity $ρ_{zz}(θ)$ increases and finally results in a peak with the field perpendicular to the c-axis. These unusual interlayer transport properties (NIMR and resistivity peak with B$\perp$c) are observed together for the first time in Dirac semimetal under ambient pressure and are well explained by the model of tunneling between Dirac fermions in the quantum limit.

cond-mat.mtrl-sci↗

arXiv2019

Magnetic exchange induced Weyl state in a semimetal EuCd2Sb2

Magnetic Weyl semimetals (WSMs) bearing long-time pursuing are still very rare. We herein identified magnetic exchange induced Weyl state in EuCd2Sb2, a semimetal in type IV magnetic space group, via performing high magnetic field (B) magneto-transport measurements and ab initio calculations. For the A-type antiferromagnetic (AFM) structure of EuCd2Sb2, external B larger than 3.2 T can align Eu spins to be fully polarized along the c-axis and consequently drive the system into a ferromagnetic (FM) state. Measurements up to B ~ 55 T revealed a striking Shubnikov-de Hass oscillation imposed by a nontrivial Berry phase. We unveiled a phase transition from a small-gap AFM topological insulator into a FM WSM in which Weyl points emerged along the Γ-Z path. Fermi arcs on (100) and (010) surfaces are also revealed. The results pave a way towards realization of various topological states in a single material through magnetic exchange manipulation.

cond-mat.str-el↗

arXiv2019

Hexagonal supertetrahedral boron: A topological metal with multiple spin-orbit-free emergent fermions

We predict a new three-dimensional (3D) boron allotrope based on systematic first-principles electronic structure calculations. This allotrope can be derived by substituting each carbon atom in a hexagonal diamond lattice with a B$_{4}$ tetrahedron and possesses the same space group $P6_{3}/mmc$ as hexagonal diamond, hence it is termed as H-boron. We show that H-boron has good stability and excellent mechanical property. Remarkably, we find that H-boron is a topological metal with rich types of spin-orbit-free emergent fermions, including semi-Dirac fermion, quadratic and linear triple-point fermion, nodal-line fermion, and nodal-surface fermion. We clarify their symmetry protections and characterize them by constructing the corresponding low-energy effective models. Our work not only discovers a new boron allotrope with excellent properties, it also offers a platform to explore interesting physics of new kinds of emergent fermions.

cond-mat.mtrl-sci↗

arXiv2018

LnPd$_{2}$Sn (Ln=Sc, Y, Lu) class of Heusler alloys for topological superconductivity

Based on the first-principles electronic structure calculations and the symmetry analysis, we predict that the topological superconductivity may occur on the surface of the LnPd$_{2}$Sn (Ln=Sc, Y, Lu) class of Heusler alloys. The calculated electronic band structure and topological invariant demonstrate that the LnPd$_{2}$Sn family is topologically nontrivial. The further slab calculations show that the nontrivial topological surface states of LnPd$_{2}$Sn exist within the bulk band gap and meanwhile they cross the Fermi level. Considering that the LnPd$_{2}$Sn class of compounds were all found experimentally to be superconducting at low temperature, the surface topological superconductivity is likely to be generated via the proximity effect. Thus the LnPd$_{2}$Sn class of compounds shall be a promising platform for exploring novel topological superconductivity and handling Majorana zero modes.

cond-mat.mtrl-sci↗

arXiv2018

$β$-RhPb$_2$, a topological superconductor candidate

A topological superconductor candidate $β$-RhPb$_2$ is predicted by using the first-principles electronic structure calculations. Our calculations show that there is a band inversion around the Fermi level at the Z point of Brillouin zone. The calculated nonzero topological invariant Z$_2$ indicates that $β$-RhPb$_2$ is a topological insulator defined on a curved Fermi level. The slab calculations further demonstrate that the gapless nontrivial topological surface states (TSS) are not overlapped by the bulk states and they cross the Fermi level. The phonon calculations confirm the dynamical stability of $β$-RhPb$_2$, while the electron-phonon coupling (EPC) calculations predict that the superconducting transition temperature ($T_c$) of $β$-RhPb$_2$ can reach 9.7 K. The coexistence of nontrivial topological band structure with the TSS crossing the Fermi level as well as the superconducting $T_c$ above the liquid-helium temperature suggest that the layered compound $β$-RhPb$_2$ is a topological superconductor, which deserves further experimental verification.

cond-mat.mtrl-sci↗

arXiv2017

Extremely large magnetoresistance and high-density Dirac-like fermions in ZrB2

We report the detailed study on transport properties of ZrB2 single crystal, a predicted topological nodal-line semimetal. ZrB2 exhibits extremely large magnetoresistance as well as field-induced resistivity upturn and plateau. These behaviors can be well understood by the two-band model with the perfect electron - hole compensation and high carrier mobilities. More importantly, the electrons with small effective masses and nontrivial Berry phase have significantly high density when compared to those in known topological semimetals. It strongly suggests that ZrB2 hosts Dirac-like nodal-line fermions.

cond-mat.mtrl-sci↗

arXiv2017

Magneto-transport and Electronic Structures of BaZnBi$_2$

We report the magneto-transport properties and electronic structures of BaZnBi$_2$. BaZnBi$_2$ is a quasi-two-dimensional (2D) material with metallic behavior. The transverse magnetoresistance (MR) depends on magnetic field linearly and exhibits Shubnikov-de Haas (SdH) oscillation at low temperature and high field. The observed linear MR may originate from the disorder in samples or the edge conductivity in compensated two-component systems. The first-principles calculations reveal the absence of stable gapless Dirac fermion. Combining with the trivial Berry phase extracted from SdH oscillation, BaZnBi$_2$ is suggested to be a topologically trivial semimetal. Nearly compensated electron-like Fermi surfaces (FSs) and hole-like FSs coexist in BaZnBi$_2$.

cond-mat.mtrl-sci↗

arXiv2017

Pressure-induced topological phase transition in LaSb: First-principles study

By using first-principles electronic structure calculations, we predict that the extreme magnetoresistance (XMR) material LaSb takes a topological phase transition without breaking any symmetry under a hydrostatic pressure applied between 3 and 4 GPa, meanwhile the electron-hole compensation remains in its electronic band structure. Thus LaSb provides an ideal platform for studying the individual role of topological property playing in the XMR phenomenon, in addition to the electron-hole compensation. This has general implication to the relationship of XMR effect and topological property in topological materials.

cond-mat.mtrl-sci↗

arXiv2017

Magnetoresistance and Shubnikov-de Hass oscillation in YSb

YSb crystals are grown and the transport properties under magnetic field are measured. The resistivity exhibits metallic behavior under zero magnetic field and the low temperature resistivity shows a clear upturn once a moderate magnetic field is applied. The upturn is greatly enhanced by increasing magnetic field, finally resulting in a metal-to-insulator-like transition. With temperature further decreased, a resistivity plateau emerges after the insulator-like regime. At low temperature (2.5 K) and high field (14 T), the transverse magnetoresistance (MR) is quite large (3.47 $\times 10^4\%$ ). In addition, Shubnikov-de Haas (SdH) oscillation has also been observed in YSb. Periodic behavior of the oscillation amplitude reveals the related information about Fermi surface and two major oscillation frequencies can be obtained from the FFT spectra of the oscillations. The trivial Berry phase extracted from SdH oscillation, band structure revealed by angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations demonstrate that YSb is a topologically trivial material.

cond-mat.mtrl-sci↗

arXiv2016

Type-II Dirac semimetals in the YPd$_2$Sn class

The Lorentz-invariance-violating Weyl and Dirac fermions have recently attracted intensive interests as new types of particles beyond high-energy physics, and they demonstrate novel physical phenomena such as angle-dependent chiral anomaly and topological Lifshitz transition. Here we predict the existence of Lorentz-invariance-violating Dirac fermions in the YPd$_2$Sn class of Heusler alloys that emerge at the boundary between the electron-like and hole-like pockets in the Brillouin zone, based on the first-principles electronic structure calculations. In combination with the fact that this class of materials was all reported to be superconductors, the YPd$_2$Sn class provides an appropriate platform for studying exotic physical properties distinguished from conventional Dirac fermions, especially for realizing possible topological superconductivity.

cond-mat.mtrl-sci↗

arXiv2016

Large magnetoresistance in LaBi: origin of field-induced resistivity upturn and plateau in compensated semimetals

The discovery of non-magnetic extreme magnetoresistance (XMR) materials has induced great interests because the XMR phenomenon challenges our understanding of how a magnetic field can alter electron transport in semimetals. Among XMR materials, the LaSb shows XMR and field-induced exotic behaviors but it seems to lack the essentials for these properties. Here, we study the magnetotransport properties and electronic structure of LaBi, isostructural to LaSb. LaBi exhibits large MR as in LaSb, which can be ascribed to the nearly compensated electron and hole with rather high mobilities. More importantly, our analysis suggests that the XMR as well as field-induced resistivity upturn and plateau observed in LaSb and LaBi can be well explained by the two-band model with the compensation situation. We present the critical conditions leading to these field-induced properties. It will contribute to understanding the XMR phenomenon and explore novel XMR materials.

cond-mat.mtrl-sci↗

arXiv2016

Ultrafast THz Field Control of Electronic and Structural Interactions in Vanadium Dioxide

Vanadium dioxide, an archetypal correlated-electron material, undergoes an insulator-metal transition near room temperature that exhibits electron-correlation-driven and structurally-driven physics. Using ultrafast optical spectroscopy and x-ray scattering we show that these processes can be disentangled in the time domain. Specifically, following intense sub-picosecond electric-field excitation, a partial collapse of the insulating gap occurs within the first ps. Subsequently, this electronic reconfiguration initiates a change in lattice symmetry taking place on a slower timescale. We identify the kinetic energy increase of electrons tunneling in the strong electric field as the driving force, illustrating a novel method to control electronic interactions in correlated materials on an ultrafast timescale.

cond-mat.str-el↗

arXiv2016

Perfect charge compensation in extremely large magnetoresistance materials LaSb and LaBi revealed by the first-principles calculations

By the first-principles electronic structure calculations, we have systematically studied the electronic structures of recently discovered extremely large magnetoresistance (XMR) materials LaSb and LaBi. We find that both LaSb and LaBi are semimetals with the electron and hole carriers in perfect balance. The calculated carrier densities in the order of $10^{20}$ cm$^{-3}$ are in good agreement with the experimental values, implying long mean free time of carriers and thus high carrier mobilities. With a semiclassical two-band model, the perfect charge compensation and high carrier mobilities naturally explain (i) the XMR observed in LaSb and LaBi; (ii) the non-saturating quadratic dependence of XMR on external magnetic field; and (iii) the resistivity plateau in the turn-on temperature behavior at very low temperatures. The explanation of these features without resorting to the topological effect indicates that they should be the common characteristics of all perfectly electron-hole compensated semimetals.

cond-mat.mtrl-sci↗