arXiv subjects

Xiao Tong

Publications and source records attributed to Xiao Tong.

28 records · Page 2Linked to original sources

arXiv2022

Thermal transport and mixed valence in ZrTe$_3$ doped with Hf and Se

Two-dimensional transition metal trichalcogenides (TMTC's) feature covalently bonded metal-chalcogen layers separated by the van der Waals (vdW) gap. Similar to transition metal dichalcogenides (TMDCs), TMTCs often host charge density waves (CDWs) and superconductivity but unlike TMDCs atomic chains in the crystal structure give rise to quasi one-dimensional (quasi 1D) conduction. ZrTe$_3$ features CDW below $T_{\textrm{CDW}}$ = 63 K and filamentary superconductivity below 2 K that can be enhanced by pressure or chemical substitution. Here we report the presence of mixed valent Zr$^{2+}$ and Zr$^{4+}$ atoms in ZrTe$_3$ crystals that is reduced by doping in ZrTe$_{3-x}$Se$_x$ and Zr$_{1-y}$Hf$_y$Te$_3$. Superconductivity is enhanced via disorder in Te2-Te3 atomic chains that are associated with CDW formation. Hf substitution on Zr atomic site enhances $T_{\textrm{CDW}}$ due to unperturbed Te2-Te3 chain periodicity and enhanced electron-phonon coupling. Weak electronic correlations in ZrTe$_{3-x}$Se$_x$ are likely governed by the lattice contraction effects.

cond-mat.str-el↗

arXiv2022

Electrical and thermal transport in van der Waals magnets 2H-M$_x$TaS$_2$ (M = Mn, Co)

We report a detailed study of electrical and thermal transport properties in 2H-M$_x$TaS$_2$ (M = Mn, Co) magnets where M atoms are intercalated in the van der Waals gap. The intercalation induces ferromagentism with an easy-plane anisotropy in 2H-Mn$_x$TaS$_2$, but ferromagnetism with a strong uniaxial anisotropy in 2H-Co$_{0.22}$TaS$_2$, which finally evolves into a three-dimensional antiferromagnetism in 2H-Co$_{0.34}$TaS$_2$. Temperature-dependent electrical resistivity shows metallic behavior for all samples. Thermopower is negative in the whole temperature range for 2H-Co$_x$TaS$_2$, whereas the sign changes from negative to positive with increasing Mn for 2H-Mn$_x$TaS$_2$. The diffusive thermoelectric response dominates in both high- and low-temperature ranges for all samples. A clear kink in electrical resistivity, a weak anomaly in thermal conductivity, as well as a slope change in thermopower were observed at the magnetic transitions for 2H-Mn$_{0.28}$TaS$_2$ ($T_\textrm{c}$ $\approx$ 82 K) and 2H-Co$_{0.34}$TaS$_2$ ($T_\textrm{N}$ $\approx$ 36 K), respectively, albeit weaker for lower $x$ crystals. Co-intercalation promoted ferromagnetic to antiferromagnetic transition is further confirmed by the Hall resistivity; the sign change of the ordinary Hall coefficient indicates a multi-band behavior in 2H-Co$_x$TaS$_2$.

cond-mat.str-el↗

arXiv2020

Magnetic mixed valent semimetal EuZnSb$_2$ with Dirac states in the band structure

We report discovery of new antiferromagnetic semimetal EuZnSb$_2$, obtained and studied in the form of single crystals. Electric resistivity, magnetic susceptibility and heat capacity indicate antiferromagnetic order of Eu with $T_N$ = 20 K. The effective moment of Eu$^{2+}$ inferred from the magnetization and specific heat measurement is 3.5 $μ_B$, smaller than the theoretical value of Eu$^{2+}$ due to presence of both Eu$^{3+}$ and Eu$^{2+}$. Magnetic field-dependent resistivity measurements suggest dominant quasi two dimensional Fermi surfaces whereas the first-principle calculations point to the presence of Dirac fermions. Therefore, EuZnSb$_2$ could represent the first platform to study the interplay of dynamical charge fluctuations, localized magnetic 4$f$ moments and Dirac states with Sb orbital character.

cond-mat.str-el↗

arXiv2020

Toward precise simulations of the coupled ultrafast dynamics of electrons and atomic vibrations in materials

Ultrafast spectroscopies can access the dynamics of electrons and nuclei at short timescales, shedding light on nonequilibrium phenomena in materials. However, development of accurate calculations to interpret these experiments has lagged behind as widely adopted simulation schemes are limited to sub-picosecond timescales or employ simplified interactions lacking quantitative accuracy. Here we show a precise approach to obtain the time-dependent populations of nonequilibrium electrons and atomic vibrations (phonons) up to tens of picoseconds, with a femtosecond time resolution. Combining first-principles electron-phonon and phonon-phonon interactions with a parallel numerical scheme to time-step the coupled electron and phonon Boltzmann equations, our method provides unprecedented microscopic insight into scattering mechanisms in excited materials. Focusing on graphene as a case study, we demonstrate calculations of ultrafast electron and phonon dynamics, transient optical absorption, structural snapshots and diffuse X-ray scattering. Our first-principles approach paves the way for quantitative atomistic simulations of ultrafast dynamics in materials.

cond-mat.mtrl-sci↗

arXiv2020

Complete Strain Mapping of Nanosheets of Tantalum Disulfide

Quasi-two-dimensional (quasi-2D) materials hold promise for future electronics because of their unique band structures that result in electronic and mechanical properties sensitive to crystal strains in all three dimensions. Quantifying crystal strain is a prerequisite to correlating it with the performance of the device, and calls for high resolution but spatially resolved rapid characterization methods. Here we show that using fly-scan nano X-ray diffraction we can accomplish a tensile strain sensitivity below 0.001% with a spatial resolution of better than 80 nm over a spatial extent of 100 $μ$m on quasi 2D flakes of 1T-TaS2. Coherent diffraction patterns were collected from a $\sim$ 100 nm thick sheet of 1T-TaS2 by scanning 12keV focused X-ray beam across and rotating the sample. We demonstrate that the strain distribution around micron and sub-micron sized 'bubbles' that are present in the sample may be reconstructed from these images. The experiments use state of the art synchrotron instrumentation, and will allow rapid and non-intrusive strain mapping of thin film samples and electronic devices based on quasi 2D materials.

cond-mat.mtrl-sci↗

arXiv2020

Three-dimensional Ising Ferrimagnetism of Cr-Fe-Cr trimers in FeCr2Te4

We carried out a comprehensive study of magnetic critical behavior in single crystals of ternary chalcogenide FeCr$_2$Te$_4$ that undergoes a ferrimagnetic transition below $T_c$ $\sim$ 123 K. Detailed critical behavior analysis and scaled magnetic entropy change indicate a second-order ferrimagentic transition. Critical exponents $β= 0.30(1)$ with $T_c = 122.4(5)$ K, $γ= 1.22(1)$ with $T_c = 122.8(1)$ K, and $δ= 4.24(2)$ at $T_c$ $\sim$ 123 K suggest that the spins approach three-dimensional Ising ($β$ = 0.325, $γ$ = 1.24, and $δ$ = 4.82) model coupled with the attractive long-range interactions between spins that decay as $J(r)\approx r^{-4.88}$. Our results suggest that the ferrimagnetism in FeCr$_2$Te$_4$ is due to itinerant ferromagnetism among the antiferromagnetically coupled Cr-Fe-Cr trimers.

cond-mat.str-el↗

arXiv2020

Emergent of the flat band and superstructures in the VSe2 / Bi2Se3 system

Dispersionless flat bands are proposed to be a fundamental ingredient to achieve the various sought after quantum states of matter including high-temperature superconductivity1-4 and fractional quantum Hall effect5-6. Materials with such peculiar electronic states, however, are very rare and often exhibit very complex band structures. Here, we report on the emergence of a flat band with a possible insulating ground state in the sub-monolayer VSe2 / Bi2Se3 heterostructure by means of angle-resolved photoemission spectroscopy and scanning tunneling microscopy. The flat band is dispersionless along the kll and kz momenta, filling the entire Brillouin zone, and it exhibits a complex circular dichroism signal reversing the sign at several points of the Brillouin zone. These properties together with the presence of a Moiré patterns in VSe2 suggest that the flat band is not a trivial disorder or confinement effect and could even be topologically non-trivial. Another intriguing finding is that the flat band does not modify the Dirac cone of Bi2Se3 around the Dirac point. Furthermore, we found that the flat band and the Dirac surface states of Bi2Se3 have opposite energy shifts with electron doping. This opens a novel way of controlling the spin texture of photocurrents as well as the transport properties of the heterostructure. These features make this flat band remarkably distinguishable from previous findings and our methodology can be applied to other systems opening a promising pathway to realize strongly correlated quantum effects in topological materials.

cond-mat.mtrl-sci↗

arXiv2020

Microscopic Relaxation Channels in Materials for Superconducting Qubits

Despite mounting evidence that materials imperfections are a major obstacle to practical applications of superconducting qubits, connections between microscopic material properties and qubit coherence are poorly understood. Here, we perform measurements of transmon qubit relaxation times $T_1$ in parallel with spectroscopy and microscopy of the thin polycrystalline niobium films used in qubit fabrication. By comparing results for films deposited using three techniques, we reveal correlations between $T_1$ and grain size, enhanced oxygen diffusion along grain boundaries, and the concentration of suboxides near the surface. Physical mechanisms connect these microscopic properties to residual surface resistance and $T_1$ through losses arising from the grain boundaries and from defects in the suboxides. Further, experiments show that the residual resistance ratio can be used as a figure of merit for qubit lifetime. This comprehensive approach to understanding qubit decoherence charts a pathway for materials-driven improvements of superconducting qubit performance.

physics.app-ph↗

arXiv2020

Perturbo: a software package for ab initio electron-phonon interactions, charge transport and ultrafast dynamics

Perturbo is a software package for first-principles calculations of charge transport and ultrafast carrier dynamics in materials. The current version focuses on electron-phonon interactions and can compute phonon-limited transport properties such as the conductivity, carrier mobility and Seebeck coefficient. It can also simulate the ultrafast nonequilibrium electron dynamics in the presence of electron-phonon scattering. Perturbo uses results from density functional theory and density functional perturbation theory calculations as input, and employs Wannier interpolation to reduce the computational cost. It supports norm-conserving and ultrasoft pseudopotentials, spin-orbit coupling, and polar electron-phonon corrections for bulk and 2D materials. Hybrid MPI plus OpenMP parallelization is implemented to enable efficient calculations on large systems (up to at least 50 atoms) using high-performance computing. Taken together, Perturbo provides efficient and broadly applicable ab initio tools to investigate electron-phonon interactions and carrier dynamics quantitatively in metals, semiconductors, insulators, and 2D materials.

cond-mat.mtrl-sci↗

arXiv2019

Thickness-dependent magnetic order in CrI$_3$ single crystals

Two-dimensional (2D) materials with intrinsic ferromagnetism provide unique opportunity to engineer new functionalities in nano-spintronics. One such material is CrI$_3$, showing long-range magnetic order in monolayer with the Curie temperature ($T_c$) of 45 K. Here we study detailed evolution of magnetic transition and magnetic critical properties in response to systematic reduction in crystal thickness down to 50 nm. Bulk $T_c$ of 61 K is gradually suppressed to 57 K, however, the satellite transition at $T^*$ = 45 K is observed layer-independent at fixed magnetic field of 1 kOe. The origin of $T^*$ is proposed to be a crossover from pinning to depinning of magnetic domain walls. The reduction of thickness facilitates a field-driven metamagnetic transition around 20 kOe with out-of-plane field, in contrast to the continuous changes with in-plane field. The critical analysis around $T_c$ elucidates the mean-field type interactions in microscale-thick CrI$_3$.

cond-mat.str-el↗