Searcharxiv⌕ Search

arXiv subjects

Weiwei Xie

Publications and source records attributed to Weiwei Xie.

At least 73 records · Page 4Linked to original sources

Superconductivity in electron doped PbBi2Te4

Single crystals of In-doped PbBi2Te4 are synthesized via a conventional solid-state method. Chemical analysis and hall measurements indicate that In replaces Pb, introducing n-type carriers, creating Pb1-xInxBi2Te4. A superconducting transition is observed with a maximum transition temperature around 2.06 K for Pb1-xInxBi2Te4. Field dependent transport measurements reveal type-II superconductivity and yield a maximum upper critical field around 1.55 T. Thermodynamic data indicates bulk superconductivity in the BCS weak coupling limit. Our findings establish an ambient-pressure superconducting system in the AM2X4 family, and doped PbBi2Te4 as a promising platform for the study of topological superconductivity.

cond-mat.supr-con↗

Erbium-excess gallium garnets

A series of garnets of formula Er3+xGa5-xO12 is described, for which we report the crystal structures for both polycrystalline and single-crystal samples. The x limit in the garnet phase is between 0.5 and 0.6 under our conditions, with the Er fully occupying the normal garnet site plus half-occupying the octahedral site at x = 0.5 in place of the Ga normally present. Long-range antiferromagnetic order with spin ice-like frustration is suggested by the transition temperature (TN=0.8K) being much lower than the Curie-Weiss theta. The magnetic ordering temperature does not depend on the Er excess, but there is increasing residual entropy as the Er excess is increased, highlighting the potential for unusual magnetic behavior in this system.

cond-mat.mtrl-sci↗

Quantum-limit phenomena and bandstructure in the magnetic topological semimetal EuZn2As2

We have experimentally investigated the low-temperature (0.6 K) electronic and magnetic properties of the layered antiferromagnet EuZn2As2 in pulsed magnetic fields of up to 60 T at a temperature of 0.6 K, giant positive magnetoresistance (MR) is observed above μ_{0}H ~ 20 T, a regime in which the spins are already fully polarized. Both magnetic torque and proximity detector oscillator (PDO) data show no corresponding anomaly at or close to this field. By analyzing the quantum oscillations observed in the MR and PDO frequency, we find that (1) the oscillation frequency F = 46 \pm 6 T for H // c and 42 \pm 2 T for H // ab; (2) the corresponding Berry phase is close to πfor H // c, implying a nontrivial topology; and (3) the large linear MR at high fields corresponds to the quantum limit (i.e., only the last Landau level being occupied). From these observations we conclude that the linear MR can be understood by considering diffusing cyclotron centers in the quantum limit. Our findings help understand the intimate relationship between magnetism and electronic topology in EuZn2As2 under extremely high fields and suggest reasons for the emergent behavior in the quantum limit.

cond-mat.mtrl-sci↗

Continuous spin excitations in the three-dimensional frustrated magnet K2Ni2(SO4)3

Continuous spin excitations are widely recognized as one of the hallmarks of novel spin states in quantum magnets, such as quantum spin liquids (QSLs). Here, we report the observation of such kind of excitations in K2Ni2(SO4)3, which consists of two sets of intersected spin-1 Ni2+ trillium lattices. Our inelastic neutron scattering measurement on single crystals clearly shows a dominant excitation continuum, which exhibits a distinct temperature-dependent behavior from that of spin waves, and is rooted in strong quantum spin fluctuations. Further using the self-consistent-gaussian-approximation method, we determined the fourth- and fifth-nearest neighbor exchange interactions are dominant. These two bonds together form a unique three-dimensional network of corner-sharing tetrahedra, which we name as ''hyper-trillium'' lattice. Our results provide direct evidence for the existence of QSL features in K2Ni2(SO4)3 and highlight the potential for the hyper-trillium lattice to host frustrated quantum magnetism.

cond-mat.str-el↗

Synthesis and physical properties of a new layered ferromagnet, Cr1.21Te2

Single crystals of a new layered compound, Cr1.21Te2, was synthesized via a vapor transport method. The crystal structure and physical properties were characterized by single crystal and powder x-ray diffraction, temperature- and field-dependent magnetization, zero-field heat capacity and angle-resolved photoemission spectroscopy. Cr1.21Te2, containing two Cr sites, crystalizes in a trigonal structure with a space group P-3 (No. 147). The Cr site in the interstitial layer is partially occupied. Physical property characterizations indicate that Cr1.21Te2 is metallic with hole pockets at the Fermi energy and undergoes a ferromagnetic phase transition at ~173 K. The magnetic moments align along the c-axis in the ferromagnetic state. Based on low temperature magnetization, the spin stiffness constant D and spin excitation gap $Δ$ were estimated according to Bloch's law to be D = 99 $\pm$ 24 meV $Å^2$ and $Δ$ = 0.46 $\pm$ 0.33 meV, suggesting its possible application as a low dimensional ferromagnet.

cond-mat.mtrl-sci↗

Spin disorder in a stacking polytype of a layered magnet

Strongly correlated ground states and exotic quasiparticle excitations in low-dimensional systems are central research topics in the solid state research community. The present work develops a new layered material and explores the physical properties. Single crystals of 3R-Na2MnTeO6 were synthesized via a flux method. Single crystal x-ray diffraction and transmission electron microscopy reveal a crystal structure with ABC-type stacking and an R-3 space group, which establishes this material as a stacking polytype to previously reported 2H-Na2MnTeO6. Magnetic and heat capacity measurements demonstrate dominant antiferromagnetic interactions, the absence of long-range magnetic order down to 0.5 K, and field-dependent short range magnetic correlations. A structural transition at ~ 23 K observed in dielectric measurements may be related to displacements of the Na positions. Our results demonstrate that 3R-Na2MnTeO6 displays low-dimensional magnetism, disordered structure and spins, and the system displays a rich structure variety.

cond-mat.str-el↗

Non-centrosymmetric Sr$_{2}$IrO$_{4}$ obtained under High Pressure

Sr$_{2}$IrO$_{4}$ with strong spin-orbit coupling (SOC) and Hubbard repulsion (U) hosts Mott insulating states. The similar crystal structure, magnetic and electronic properties, particularly the $d$-wave gap observed in Sr$_{2}$IrO$_{4}$ enhanced the analogies to cuprate high-$T_{c}$ superconductor, La$_{2}$CuO$_{4}$. The incomplete analogy was due to the lack of broken inversion symmetry phases observed in Sr$_{2}$IrO$_{4}$. Here, under high pressure and high temperature conditions, we report a non-centrosymmetric Sr$_{2}$IrO$_{4}$. The crystal structure and its noncentrosymmetric character were determined by single crystal X-ray diffraction and high-resolution scanning transmission electron microscopy (HR-STEM). The magnetic characterization confirms the Ir$^{4+}$ with $S$ = 1/2 at low temperature in Sr$_{2}$IrO$_{4}$ with magnetic ordering occurred at around 86 K, where a larger moment is observed than the ambient pressure Sr$_{2}$IrO$_{4}$. Moreover, the resistivity measurement shows three-dimensional Mott variable-range hopping existed in the system. This non-centrosymmetric Sr$_{2}$IrO$_{4}$ phase appears to be a unique material to offer further understanding of high-$T_{c}$ superconductivity.

cond-mat.str-el↗

High-throughput screening assisted discovery of a stable layered anti-ferromagnetic semiconductor: CdFeP2Se6

Recent advances in two-dimensional (2D) magnetism have heightened interest in layered magnetic materials due to their potential for spintronics. In particular, layered semiconducting antiferromagnets exhibit intriguing low-dimensional semiconducting behavior with both charge and spin as carrier controls. However, synthesis of these compounds is challenging and remains rare. Here, we conducted firstprinciples based high-throughput search to screen potentially stable mixed metal phosphorous trichalcogenides (MM'P2X6, where M and M' are transition metals and X is a chalcogenide) that have a wide range of tunable bandgaps and interesting magnetic properties. Among the potential candidates, we successfully synthesized a stable semiconducting layered magnetic material, CdFeP2Se6, that exhibits a short-range antiferromagnetic order at TN = 21 K with an indirect band gap of 2.23 eV. Our work suggests that highthroughput screening assisted synthesis be an effective method for layered magnetic materials discovery.

cond-mat.mtrl-sci↗

A Layered Spin 1/2 polymorph of titanium triiodide

A previously unreported layered spin 1/2 triangular lattice polymorph of TiI3 is described, synthesized under 6 GPa of applied pressure at 900 C, but stable at atmospheric pressure. This air-sensitive material has a CdI2-type layered structure (P-3m1 (#164), a = 4.012 A and c = 6.641 A at 120 K, Z = 1 of Ti0.667I2) with an in-plane triangular lattice, related to that of TiI4 (Ti0.5I2). Although the TiI3 formula is consistent with expectations for a layered honeycomb lattice of spin 1/2 Ti(III), there appears to be disorder in the crystal structure. Magnetic susceptibility and heat capacity measurements suggest that the material undergoes several low temperature phase transitions.

cond-mat.mtrl-sci↗

Mn(Pt$_{1-x}$Pd$_{x}$)$_5$P: Isovalent Tuning of Mn Sublattice Magnetic Order

We report the growth and characterization of MnPd$_5$P, a ferromagnet with T$_C$ $\approx$ 295 K, and conduct a substitutional study with its antiferromagnetic analogue MnPt$_5$P. We grow single crystals of MnPd$_5$P and Mn(Pt$_{1-x}$Pd$_x$)$_5$P by adding Mn into (Pt$_{1-x}$Pd$_{x}$)-P based melts. All compounds in the family adopt the layered anti-CeCoIn$_5$ structure with space group P4/mmm, and EDS and XRD results indicate that MnPt$_5$P and MnPd$_5$P form a solid solution. Based on magnetization and resistance data, we construct a T-x phase diagram for Mn(Pt$_{1-x}$Pd$_x$)$_5$P and demonstrate the antiferromagnetic order found in MnPt$_5$P is extraordinarily sensitive to Pd substitution. At low Pd fractions (x $<$ 0.010), the single antiferromagnetic transition in pure MnPt$_5$P splits into a higher temperature ferromagnetic transition followed on cooling by a lower temperature ferromagnetic to antiferromagnetic transition and then by a re-entrant antiferromagnetic to ferromagnetic transition at lower temperatures. The antiferromagnetic region makes up a bubble that persists to x $\approx$ 0.009 for T $\approx$ 150 K, with all samples x $<$ 0.009 recovering their initial ferromagnetic state with further cooling to base temperature. Over the same low x range we find a non-monotonic change in the room temperature unit cell volume, further suggesting that pure MnPt$_5$P is close to an instability. Once x $>$ 0.010, Mn(Pt$_{1-x}$Pd$_x$)$_5$P undergoes a single ferromagnetic transition. The Curie temperature increases rapidly with x, rising from T$_C$ $\approx$ 197 K at x = 0.013 to a maximum of T$_C$ $\approx$ 312 K for x $\approx$ 0.62, and then falls back to T$_C$ $\approx$ 295 K for pure MnPd$_5$P (x = 1). Given that Pt and Pd are isoelectronic, this work raises questions as to the origin of the extreme sensitivity of the magnetic ground state in MnPt$_5$P upon introducing Pd.

cond-mat.mtrl-sci↗

High Temperature Ferromagnetism in Cr$_{1+x}$Pt$_{5-x}$P

We present the growth and basic magnetic and transport properties of Cr$_{1+x}$Pt$_{5-x}$P. We show that single crystals can readily be grown from a high-temperature solution created by adding dilute quantities of Cr to Pt-P based melts. Like other 1-5-1 compounds, Cr$_{1+x}$Pt$_{5-x}$P adopts a tetragonal P4/mmm structure composed face-sharing CrPt$_3$ like slabs that are broken up along the c-axis by sheets of P atoms. EDS and X-ray diffraction measurements both suggest Cr$_{1+x}$Pt$_{5-x}$P has mixed occupancy between Cr and Pt atoms, similar to what is found in the closely related compound CrPt$_3$, giving real compositions of Cr$_{1.5}$Pt$_{4.5}$P (x = 0.5). We report that Cr$_{1.5}$Pt$_{4.5}$P orders ferromagnetically at T$_C$ = 464.5 K with a saturated moment of $\approx$ 2.1 $μ_{\textit{B}}$/Cr at 1.8 K. Likely owing to the strong spin-orbit coupling associated with the large quantity of high Z Pt atoms, Cr$_{1.5}$Pt$_{4.5}$P has exceptionally strong planar anisotropy with estimated anisotropy fields of 345 kOe and 220 kOe at 1.8 K and 300 K respectively. The resistance of Cr$_{1.5}$Pt$_{4.5}$P has a metallic temperature dependence with relatively weak magnetoresistance. Electronic band structure calculations show that CrPt$_5$P has a large peak in the density of states near the Fermi level which is split into spin majority and minority bands in the ferromagnetic state. Furthermore, the calculations suggest substantial hybridization between Cr-3d and Pt-5d states near the Fermi level, in agreement with the experimentally measured anisotropy.

cond-mat.mtrl-sci↗

Tunable Topological Dirac Surface States and Van Hove Singularities in Kagome Metal GdV${_6}$Sn${_6}$

Transition-metal-based kagome materials at van Hove filling are a rich frontier for the investigation of novel topological electronic states and correlated phenomena. To date, in the idealized two-dimensional kagome lattice, topologically nontrivial Dirac surface states (TDSSs) have not been unambiguously observed, and the manipulation of TDSSs and van Hove singularities (VHSs) remains largely unexplored. Here, we reveal TDSSs originating from a Z${_2}$ bulk topology and identify multiple VHSs near the Fermi level ($\textit{E}$${_F}$) in magnetic kagome material GdV${_6}$Sn${_6}$. Using in-situ surface potassium deposition, we successfully realize manipulation of the TDSSs and VHSs. The Dirac point of the TDSSs can be tuned from above to below ($\textit{E}$${_F}$), which reverses the chirality of the spin texture at the Fermi surface. These results establish GdV${_6}$Sn${_6}$ as a fascinating platform for studying the nontrivial topology, magnetism and correlation effects native to kagome lattices. They also suggest potential application of spintronic devices based on kagome materials.

cond-mat.mtrl-sci↗

Time reversal invariant single gap superconductivity with upper critical field larger than Pauli limit in NbIr$_2$B$_2$

Recently, compounds with noncentrosymmetric crystal structure have attracted much attention for providing a rich playground in search for unconventional superconductivity. NbIr$_2$B$_2$ is a new member to this class of materials harboring superconductivity below $T_{\rm c} = 7.3(2)$~K and very high upper critical field that exceeds Pauli limit. Here we report on muon spin rotation ($μ$SR) experiments probing the temperature and field dependence of effective magnetic penetration depth in this compound. Our transverse-field -$μ$SR results suggest a fully gaped $s$-wave superconductvity. Further, the estimated high value of upper critical field is also supplemented by high field transport measurements. Remarkably, the ratio $T_{\rm c}$/$λ^{-2}(0)$ obtained for NbIr$_2$B$_2$ ($\sim$2) is comparable to those of unconventional superconductors. Zero-field $μ$SR data reveals no significant change in the muon spin relaxation rate above and below $T_{\rm c}$, evincing that time-reversal symmetry is preserved in the superconducting state. The presented results will stimulate theoretical investigations to obtain a microscopic understanding of the origin of superconductivity with preserved time reversal symmetry in this unique noncentrosymmetric system.

cond-mat.supr-con↗

LiYbSe2: Frustrated Magnetism in a New Pyrochlore Lattice

Three-dimensionally (3D) frustrated magnets generally exist in the magnetic diamond and pyrochlore lattices, in which quantum fluctuations suppress magnetic orders and generate highly entangled ground states (GS). LiYbSe2 in a previously unreported pyrochlore lattice was discovered from LiCl flux growth. Distinct from the quantum spin liquid (QSL) candidate NaYbSe2 hosting a perfect triangular lattice of Yb3+, LiYbSe2 crystallizes in the cubic pyrochlore structure with space group Fd-3m (No. 227). The Yb3+ ions in LiYbSe2 are arranged on a network of corner-sharing tetrahedra, which is particularly susceptible to geometrical frustration. According to our temperature-dependent magnetic susceptibility measurements, the dominant antiferromagnetic interaction in LiYbSe2 is expected to appear around 8 K. However, no long-range magnetic order is detected in thermomagnetic measurements above 70 mK. Specific heat measurements also show magnetic correlations shifting with applied magnetic field with a degree of missing entropy that may be related to the slight mixture of Yb3+ on the Li site. Such magnetic frustration of Yb3+ is rare in pyrochlore structures. Thus, LiYbSe2 shows promises in intrinsically realizing disordered quantum states like QSL in pyrochlore structures.

cond-mat.str-el↗

Theory-guided investigation on magnetic evolution of MnPt$_{5-x}$Pd$_x$P and discovery of anti-CeCoIn$_5$-type ferromagnetic MnPd$_5$P

We report the magnetic changes from canted antiferromagnetic to ferromagnetic orderings in anti-115-type MnPt$_{5-x}$Pd$_x$P ($x$ = 1, 2, 2.5, 3, 4, and 5) and the discovery of a new rare-earth-free ferromagnet, MnPd$_5$P by both theoretical prediction and experimental investigation. The family compounds were synthesized using high temperature solid state method and characterized to crystalize in the anti-CeCoIn$_5$ type with the space group P4/mmm exhibiting a two-dimensional layered structural feature. The magnetic property measurements indicate that the compounds ordered from canted A-type antiferromagnet in MnPt$_5$P to ferromagnet above the room temperature with varying degrees of coercivity and magnetic moments in MnPd$_5$P by reducing the spin orbital coupling. The results of the MnPt$_{5-x}$Pd$_x$P have been analyzed in comparison to the other candidates of the 151 family of Mn(Pt/Pd)$_5$(P/As) to understand the complex structure-magnetism relationships.

cond-mat.mtrl-sci↗

Charge Transfer Simulations using Hamiltonian Elements and Forces from Neural Networks

The trajectory surface hopping method has been widely used in the simulation of charge transport in organic semiconductors. In the present study, we employ the machine learning (ML) based Hamiltonian to simulate the charge transport in anthracene and pentacene. The neural network (NN) based models are able to predict not just site energies and couplings but also the gradients of the site energy as well as off-diagonal gradients necessary for forces. We train the models on DFTB-quality data for both anthracene and pentacene. By using the obtained models in propagation simulations, we evaluate their performance in reproducing hole mobilities in these materials in terms of both quality and computational cost. The results show that the charge mobilities obtained using the NN-based Hamiltonian are in very good agreements with the charge mobilities computed using the DFTB-based Hamiltonian.

physics.chem-ph↗

Multiple mobile excitons manifested as sidebands in quasi-one-dimensional metallic TaSe3

Charge neutrality and their expected itinerant nature makes excitons potential transmitters of information. However, exciton mobility remains inaccessible to traditional optical experiments that only create and detect excitons with negligible momentum. Here, using angle-resolved photoemission spectroscopy, we detect dispersing excitons in the quasi-one-dimensional metallic trichalcogenide, TaSe3. The low density of conduction electrons and the low dimensionality in TaSe3 combined with a polaronic renormalization of the conduction band and the poorly screened interaction between these polarons and photo-induced valence holes leads to various excitonic bound states that we interpret as intrachain and interchain excitons, and possibly trions. The thresholds for the formation of a photo-hole together with an exciton appear as side valence bands with dispersions nearly parallel to the main valence band, but shifted to lower excitation energies. The energy separation between side and main valence bands can be controlled by surface doping, enabling the tuning of certain exciton properties.

cond-mat.str-el↗

The honeycomb and hyperhoneycomb polymorphs of IrI$_3$

The synthesis of IrI$_3$ at high pressure in its layered honeycomb polymorph is reported. Its crystal structure is refined by single crystal X-ray diffraction. Faults in the honeycomb layer stacking are observed by single crystal diffraction, synchrotron powder diffraction, and transmission electron microscopy. A previously unreported hyperhoneycomb polymorph of IrI$_3$ ($β$-IrI$_3$), is also described. Its structure in space group Fddd is determined by single crystal XRD. Both materials are highly-resistive diamagnetic semiconductors, consistent with a low spin d$^6$ configuration for Ir(III). The two- and three-dimensional Ir arrays in these polymorphs of IrI$_3$ are analogous to those found in the $α$- and $β$- polymorphs of Li$_2$IrO$_3$, although the Ir electron configurations are different.

cond-mat.mtrl-sci↗