arXiv subjects

R. C. Xiao

Publications and source records attributed to R. C. Xiao.

12 recordsLinked to original sources

arXiv2022

Field-induced Topological Hall effect in antiferromagnetic axion insulator candidate EuIn$_2$As$_2$

The magnetic topological materials have attracted significant attention due to their potential realization of variety of novel quantum phenomena. EuIn$_2$As$_2$ has recently been theoretically recognized as a long awaited intrinsic antiferromagnetic bulk axion insulator. However, the experimental study on transport properties arising from the topological states in this material is scarce. In this paper, we perform the detailed magnetoresistance (MR) and Hall measurements to study the magnetotransport properties of this material. We find that the transport is strongly influenced by the spin configuration of the Eu moments from the concomitant change in the field dependence of the MR and that of the magnetization below the Néel temperature. Most importantly, an anomalous Hall effect (AHE) and a large topological Hall effect (THE) are observed. We suggest that the AHE is originated from a nonvanishing net Berry curvature due to the helical spin structure and that the THE is attributed to the formation of a noncoplanar spin texture with a finite scalar spin chirality induced by the external magnetic field in EuIn$_2$As$_2$. Our studies provide a platform to understand the influence of the interplay between the topology of electronic bands and the field-induced magnetic structure on magnetoelectric transport properties. In addition, our observations give a hint to realize axion insulator states and high-order topological insulator states through manipulating the magnetic state of EuIn$_2$As$_2$.

cond-mat.mtrl-sci↗

arXiv2018

Systematic analysis for triple points in all magnetic symmorphic systems and symmetry-allowed coexistence of Dirac points and triple points

Similar to Weyl fermions, a recently discovered topological fermion "triple point" can be generated from the splitting of Dirac fermion while the system has inversion symmetry (IS) breaking or time reversal symmetry (TRS) breaking. Inducing triple points in IS breaking symmorphic systems have been well studied, whereas in TRS breaking symmorphic systems have not yet. In this work, we extend the theory of searching triple points to all symmorphic magnetic systems. We list all $k$ paths of all symmorphic systems which allow the existence of triple points. With this systematic study, we also find out that the coexistence of Dirac points and triple points is symmetrically allowed in some particular symmetric systems. Our works will not only be helpful for searching triple points but also extend the knowledge of such a new topological fermion.

cond-mat.mes-hall↗

arXiv2018

Inversion symmetry breaking induced triply degenerate points in orderly arranged PtSeTe family materials

$k$ paths exactly with $C_{3v}$ symmetry allow to find triply degenerate points (TDPs) in band structures. The paths that host the type-II Dirac points in PtSe$_2$ family materials also have the $C_{3v}$ spatial symmetry. However, due to Kramers degeneracy (the systems have both inversion symmetry and time reversal symmetry), the crossing points in them are Dirac ones. In this work, based on symmetry analysis, first-principles calculations, and $k\cdot p$ method, we predict that PtSe$_2$ family materials should undergo topological transitions if the inversion symmetry is broken, \emph{i.e.} the Dirac fermions in PtSe$_2$ family materials split into TDPs in PtSeTe family materials (PtSSe, PtSeTe, and PdSeTe) with orderly arranged S/Se (Se/Te). It is different from the case in high-energy physics that breaking inversion symmetry $I$ leads to the splitting of Dirac fermion into Weyl fermions. We also address a possible method to achieve the orderly arranged in PtSeTe family materials in experiments. Our study provides a real example that Dirac points transform into TDPs, and is helpful to investigate the topological transition between Dirac fermions and TDP fermions.

cond-mat.mtrl-sci↗

arXiv2017

Inducing 3-component fermions in centrosymmetric system by breaking TRS

Recent researches show that by breaking inversion symmetry Dirac fermions can split into new fermions with 3-component. In this article, we demonstrate that Dirac fermions can also split into 3-component fermions with time reversal symmetry (TRS) breaking while inversion symmetry is preserved. Firstly, we conduct a symmetry analysis with the commutation relations among all symmetry operators of a Dirac semimetal and find out the symmetry conditions of Dirac fermions splitting into 3-component fermions. With the symmetry conditions, we derive the $k\cdot P$ effective Hamiltonian of TRS breaking and compare it with the Hamiltonian of inversion symmetry breaking. We find that they are different in $Γ$ point eigenenergies. This can be considered as consequence of Kramers degeneracy breaking which is a clear signature of TRS breaking. Moreover, with the $k\cdot P$ effective Hamiltonian of the system we show that TRS-breaking-induced 3-component fermions can split into Weyl fermions while a small magnetic field is applied. At the end, we show our first principles calculation results are consistent with the symmetry analysis and the $k\cdot P$ predictions. Our work clarifies the similarities and the differences between TRS-breaking-induced 3-component fermions and inversion-symmetry-breaking-induced 3-component fermions and extends the scope of 3-component fermion behaviors.

cond-mat.mtrl-sci↗

arXiv2017

Manipulation of type-I and type-II Dirac points in PdTe2 superconductor by external pressure

A pair of type-II Dirac cones in PdTe$_2$ was recently predicted by theories and confirmed in experiments, making PdTe$_2$ the first material that processes both superconductivity and type-II Dirac fermions. In this work, we study the evolution of Dirac cones in PdTe$_2$ under hydrostatic pressure by the first-principles calculations. Our results show that the pair of type-II Dirac points disappears at 6.1 GPa. Interestingly, a new pair of type-I Dirac points from the same two bands emerges at 4.7 GPa. Due to the distinctive band structures compared with those of PtSe$_2$ and PtTe$_2$, the two types of Dirac points can coexist in PdTe$_2$ under proper pressure (4.7-6.1 GPa). The emergence of type-I Dirac cones and the disappearance of type-II Dirac ones are attributed to the increase/decrease of the energy of the states at $Γ$ and $A$ point, which have the anti-bonding/bonding characters of interlayer Te-Te atoms. On the other hand, we find that the superconductivity of PdTe$_2$ slightly decreases with pressure. The pressure-induced different types of Dirac cones combined with superconductivity may open a promising way to investigate the complex interactions between Dirac fermions and superconducting quasi-particles.

cond-mat.mtrl-sci↗

arXiv2017

Manipulating charge-density-wave in monolayer $1T$-TiSe$_2$ by strain and charge doping: A first-principles investigation

We investigate the effects of the in-plane biaxial strain and charge doping on the charge density wave (CDW) order of monolayer $1T$-TiSe$_2$ by using the first-principles calculations. Our results show that the tensile strain can significantly enhance the CDW order, while both compressive strain and charge doping (electrons and holes) suppress the CDW instability. The tensile strain may provide an effective method for obtaining higher CDW transition temperature on the basis of monolayer $1T$-TiSe$_2$. We also discuss the potential superconductivity in charge-doped monolayer $1T$-TiSe$_2$. Controllable electronic phase transition from CDW state to metallic state or even superconducting state can be realized in monolayer $1T$-TiSe$_2$, which makes $1T$-TiSe$_2$ possess a promising application in controllable switching electronic devices based on CDW.

cond-mat.mtrl-sci↗

arXiv2017

Edge-controlled half-metallic ferromagnetism and direct gap in ZrS2 nanoribbons

The electronic and magnetic properties of ZrS2 nanoribbons (NRs) are investigated based on the first-principles calculations. It is found that the ZrS2 NRs with armchair edges are all indirect-band-gap semiconductors without magnetism and the band-gap exhibits odd-even oscillation behavior with the increase of the ribbon width. For the NRs with zigzag edges, those with both edges S-terminated are nonmagnetic direct-band-gap semiconductors and the gap decreases monotonically as a function of the ribbon width. However, the NRs with one edge S-terminated and the other edge Zr-terminated are ferromagnetic half-metal, while those with both edges Zr-terminated tend to be ferromagnetic half-metal when the width $N\geq9$. The magnetism of both systems mainly originates from the unsaturated edge Zr atoms. Depending on the different edge configurations and ribbon widths, the ZrS2 NRs exhibit versatile electronic and magnetic properties, making them promising candidates for the applications of electronics and spintronics.

cond-mat.mes-hall↗

arXiv2017

Manipulating superconductivity of $1T$-TiTe$_2$ by high pressure

Superconductivity of transition metal dichalcogenide $1T$-TiTe$_2$ under high pressure was investigated by the first-principles calculations. Our results show that the superconductivity of $1T$-TiTe$_2$ exhibits very different behavior under the hydrostatic and uniaxial pressure. The hydrostatic pressure is harmful to the superconductivity, while the uniaxial pressure is beneficial to the superconductivity. Superconducting transition temperature $T_C$ at ambient pressure is 0.73 K, and it reduces monotonously under the hydrostatic pressure to 0.32 K at 30 GPa. While the $T_C$ increases dramatically under the uniaxial pressure along $c$ axis. The established $T_C$ of 6.34 K under the uniaxial pressure of 17 GPa, below which the structural stability maintains, is above the liquid helium temperature of 4.2 K. The increase of density of states at Fermi level, the redshift of $F(ω)$/$α^2F(ω)$ and the softening of the acoustic modes with pressure are considered as the main reasons that lead to the enhanced superconductivity under uniaxial pressure. In view of the previously predicted topological phase transitions of $1T$-TiTe$_2$ under the uniaxial pressure [Phys. Rev. B 88, 155317 (2013)], we consider $1T$-TiTe$_2$ as a possible candidate in transition metal chalcogenides for exploring topological superconductivity.

cond-mat.supr-con↗

arXiv2016

Manipulating charge-density-wave in $1T$-TaS$_{2}$ by charge carrier doping: A first-principles investigation

The transition metal dichalcogenide (TMD) $1T$-TaS$_{2}$ exhibits a rich set of charge density wave (CDW) orders. Recent investigations suggested that using light or electric field can manipulate the commensurate (C) CDW ground state. Such manipulations are considered to be determined by the charge carrier doping. Here we simulate by first-principles calculations the carrier doping effect on CCDW in $1T$-TaS$_{2}$. We investigate the charge doping effects on the electronic structures and phonon instabilities of $1T$ structure and analyze the doping induced energy and distortion ratio variations in CCDW structure. We found that both in bulk and monolayer $1T$-TaS$_{2}$, CCDW is stable upon electron doping, while hole doping can significantly suppress the CCDW, implying different mechanisms of such reported manipulations. Light or positive perpendicular electric field induced hole doping increases the energy of CCDW, so that the system transforms to NCCDW or similar metastable state. On the other hand, even the CCDW distortion is more stable upon in-plain electric field induced electron injection, some accompanied effects can drive the system to cross over the energy barrier from CCDW to nearly commensurate (NC) CDW or similar metastable state. We also estimate that hole doping can introduce potential superconductivity with $T_{c}$ of $6\sim7$ K. Controllable switching of different states such as CCDW/Mott insulating state, metallic state, and even the superconducting state can be realized in $1T$-TaS$_{2}$, which makes the novel material have very promising applications in the future electronic devices.

cond-mat.str-el↗

arXiv2016

Enhanced superconductivity by strain and carrier-doping in borophene: A first principles prediction

We predict by first principles calculations that the recently prepared borophene is a pristine two-dimensional (2D) monolayer superconductor, in which the superconductivity can be significantly enhanced by strain and charge carrier doping. The intrinsic metallic ground state with high density of states at Fermi energy and strong Fermi surface nesting lead to sizeable electron-phonon coupling, making the freestanding borophene superconduct with $T_c$ close to 19.0 K. The tensile strain can increase $T_c$ to 27.4 K, while the hole doping can notably increase $T_c$ to 34.8 K. The results indicate that the borophene grown on substrates with large lattice parameters or under photoexcitation can show enhanced superconductivity with $T_c$ far more above liquid hydrogen temperature of 20.3 K, which will largely broaden the applications of such novel material.

cond-mat.supr-con↗

arXiv2015

Superconductivity enhancement in the S-doped Weyl semimetal candidate MoTe2

Two-dimensional (2D) transition-metal dichalcogenide (TMDs) MoTe2 has attracted much attention due to its predicted Weyl semimetal (WSM) state and a quantum spin Hall insulator in bulk and monolayer form, respectively. We find that the superconductivity in MoTe2 single crystal can be much enhanced by the partial substitution of the Te ions by the S ones. The maximum of the superconducting temperature TC of MoTe1.8S0.2 single crystal is about 1.3 K. Compared with the parent MoTe2 single crystal (TC=0.1 K), nearly 13-fold in TC is improved in MoTe1.8S0.2 one. The superconductivity has been investigated by the resistivity and magnetization measurements. MoTe2-xSx single crystals belong to weak coupling superconductors and the improvement of the superconductivity may be related to the enhanced electron-phonon coupling induced by the S-ion substitution. A dome-shape superconducting phase diagram is obtained in the S-doped MoTe2 single crystals. MoTe2-xSx materials may provide a new platform for our understanding of superconductivity phenomena and topological physics in TMDs.

cond-mat.supr-con↗

arXiv2015

Disorder suppressed charge-density-wave and its origin in 1T-TaSe2-xTex

In the sake of connecting the charge-density-wave (CDW) of TaSe$_2$ and single-\emph{\textbf{q}} CDW-type distortion of TaTe$_2$, we present an overall electronic phase diagram of 1\emph{T}-TaSe$_{2-x}$Te$_x$ ($0 \leq x \leq 2$). In the experimentally prepared single crystals, the CDW is completely suppressed as $0.5 < x < 1.5$, while superconductivity emerges as $0.2 < x < 1.2$. Theoretically, similar to 1\emph{T}-TaSe$_2$ and 1\emph{T}-TaTe$_2$, the hypothetic 1\emph{T}-TaSeTe with ordered Se/Ta/Te stacking shows instability in the phonon dispersion, indicating the presence of CDW in the ideally ordered sample. The contradictory between experimental and theoretical results suggests that the CDW is suppressed by disorder in 1\emph{T}-TaSe$_{2-x}$Te$_x$. The formation and suppression of CDW are found to be independent with Fermi surface nesting based on the generated electron susceptibility calculations. The calculation of phonon linewidth suggests the strong \textbf{\emph{q}}-dependent electron-phonon coupling induced period-lattice-distortion (PLD) should be related to our observation: The doping can largely distort the TaX$_6$ (X = Se, Te) octahedra, which are disorderly distributed. The resulted puckered Ta-Ta layers are not compatible with the two-dimensional PLD. Therefore, CDW is suppressed in 1\emph{T}-TaSe$_{2-x}$Te$_x$. Our results offer an indirect evidence that PLD, which can be influenced by strong disorder, is the origin of CDW in the system.

cond-mat.str-el↗