arXiv subjects

Man-Rong Li

Publications and source records attributed to Man-Rong Li.

11 recordsLinked to original sources

arXiv2026

Magneto-Structural Coupling Enables Cryogenic Cation Redistribution in a Spinel Oxide

Ionic transport in oxides is generally frozen at cryogenic temperatures, where thermal energy lies far below typical cation-migration barriers. Neutron powder diffraction reveals progressive Fe/Mg redistribution between tetrahedral (A) and octahedral (B) sites in the spinel Mg0.5Fe0.5TiFeO4 upon cooling from 200 K to 5 K. A-site Fe occupancy increases toward near completion at 5 K within Rietveld resolution, while Ti remains on the B site. This exchange coincides with complex magnetic correlations rather than a classical thermally activated window. Low-temperature magnetostrictive volume changes indicate strong spin-lattice coupling, but do not identify magnetostriction as the sole thermodynamic driver. Room-temperature high-pressure X-ray diffraction produces the opposite occupancy trend, showing that volume contraction alone cannot explain the cryogenic site exchange. These results point to magneto-structural free-energy minimization as a plausible mechanism for unlocking cryogenic cation mobility in a correlated spinel oxide.

cond-mat.mtrl-sci↗

arXiv2026

Giant Magnetocrystalline Anisotropy in Honeycomb Iridate NiIrO3 with Large Coercive Field Exceeding 17 T

The realization of unconventional quantum phases in frustrated and spin-orbit coupled materials remains at the forefront of quantum materials research. Here we report the synthesis and discovery of NiIrO3, the first honeycomb iridate with coupled 3d-5d magnetic sublattices, through a soft topotactic reaction. Structural analysis reveals an ilmenite-type stacking of edge-sharing NiO6 and IrO6 octahedral honeycomb sublattices in a Kitaev geometry. Comprehensive magnetic and electrical transport measurements unveil its long-range ferrimagnetic order below 213 K, which is in sharp contrast to the predominantly antiferromagnetic order in the known honeycomb iridates. Notably, the titled compound displays an exceptionally large magnetocrystalline anisotropy energy of 32.2 meV/f.u. and a giant coercivity with coercive field exceeding 17.3 T below 4.2 K, both ranking among the highest observed in iridates to date. Combined experimental and theoretical investigations indicate that the exceptional anisotropy and coercivity originate from the synergistic effect between strong lattice frustration in the coupled 3d-5d honeycomb lattice network and the robust spin-orbit coupling of the Ir4+ (Jeff = 1/2) state. This work positions NiIrO3 as a promising platform to investigate low-dimensional and frustrated quantum spin systems, and highlights its potential for spintronic applications through the targeted engineering of 3d-5d interactions.

cond-mat.str-el↗

arXiv2026

3D Unconventional Superconductivity in Bulk LaO

Lanthanum-based compounds are cornerstones of superconductivity research, yet the La-5d orbitals typically remain empty spectator states far above the Fermi level (EF). While superconductivity has been induced in LaO up to 5.37 K in tensile epitaxy films, the intrinsic ground state of the bulk phase has remained controversial mostly due to synthetic challenges, with early reports suggesting a metallic nature. Here we report the high-pressure and high-temperature synthesis of pure bulk rock-salt LaO and unveil its intrinsic type-II superconductivity with a transition temperature (TC) of ~6 K at ambient pressure. The bulk TC is further enhanced to 6.9 K in La1-xYxO at x = 0.10, where Y doping leads to lattice contraction (chemical pressing) and a remarkable increase in electron carrier concentration. Strikingly, applying physical pressure further enhances the TC to a maximum of 12.7 K at 20 GPa, the highest TC in lanthanum monochalcogenides LaX (X = S, Se, Te, and O) to date. This pressure dependence is diametrically opposed to the behavior observed in films, and occurs despite a pressure-induced reduction in the density of states at EF - a trend that sharply contradicts the conventional phonon-mediated BCS mechanism. Our first-principles calculations reveal that compressive strain modifies the crystal field splitting to enhance La-5d/O-2p hybridization, fostering a three-dimensional multi-pocket Fermi surface favorable for spin/orbital fluctuation-mediated pairing. This work clarifies the intrinsic superconductivity of bulk LaO and provides a foundation for designing new rare-earth-based superconductors with higher TC

cond-mat.supr-con↗

arXiv2023

Signature of Topological Semimetal in Harmonic-honeycomb ReO3

Transition-metal honeycomb compounds are capturing scientific attention due to their distinctive electronic configurations, underscored by the triangular-lattice spin-orbit coupling and competition between multiple interactions, paving the way for potential manifestations of phenomena such as Dirac semimetal, superconductivity, and quantum spin liquid states. These compounds can undergo discernible pressure-induced alterations in their crystallographic and electronic paradigms, as exemplified by our high-pressure (HP) synthesis and exploration of the honeycomb polymorph of ReO3 (P6322). This HP-P6322 polymorph bears a phase transition from P6322 to P63/mmc upon cooling around Tp = 250 K, as evidenced by the evolution of temperature-dependent magnetization (M-T curves), cell dimension, and conductivity initiated by an inherent bifurcation of the oxygen position in the ab plane. Insightful analysis of its band structure positions suggests this HP-P6322 polymorph being a plausible candidate for Dirac semimetal properties. This phase transition evokes anomalies in the temperature-dependent variation of paramagnetism (non-linearity) and a crossover from semiconductor to temperature-independent metal, showing a temperature independent conductivity behavior below ~200 K. Under increasing external pressure, both the Tp and resistance of this HP-polymorph is slightly magnetic-field dependent and undergo a "V"-style evolution (decreasing and then increasing) before becoming pressure independent up to 20.2 GPa. Theoretical calculations pinpoint this anionic disorder as a probable catalyst for the decrement in the conductive efficiency and muted temperature-dependent conductivity response.

cond-mat.mtrl-sci↗

arXiv2022

An \textit{ab initio} study of magnetic structure transitions of FePS$_3$ under high pressure

Recent experimental work shows that FePS$_3$ undergoes phase transitions from $C2/m$ ($\beta\sim107^{\circ}$) to $C2/m$ ($\beta\sim90^{\circ}$) at $6$ GPa and then to metallic $P\bar{3}1m$ at $14$ GPa, with the magnetic ordering wave vector turning from $k=(01\frac{1}{2})$ to $k=(010)$ at $2$ GPa and to short-range magnetic order accompanying the insulator-metal transition. By preserving the magnetic point groups in $ab \ initio$ calculations we report the following: (1) We successfully reproduce the first magnetic structure transition at $1.2$ GPa and briefly discuss the influence of the Hubbard U parameter on this transition. This isostructural transition causes a change of the Brillouin zone from base-centered monoclinic to primitive monoclinic, and an indrect band gap to direct band gap transition. (2) There is a rotation of the Fe-S octahedron about $0.5^\circ$ through the $[001]$ axis before the neighboring layers shift. (3) The shift between neighboring layers is predicted to occur at $10.0$ GPa and reverses the energy order between $d_{x^2-y^2}$ and $d_{xy}$. (4) A sudden decrease of Fe-S bond length to $2.20$ \AA \ accompanies the vanishing of magnetic moment in the insulator-metal transition. Our work shows the importance of symmetries of magnetic structures in pressure-induced phase transition of magnetic systems.

cond-mat.mtrl-sci↗

arXiv2022

Exchange field enhanced upper critical field of the superconductivity in compressed antiferromagnetic EuTe2

We report high pressure studies on the C-type antiferromagnetic semiconductor EuTe2 up to 36.0 GPa. A structural transition from the I4/mcm to C2/m space group is identified at ~16 GPa. Superconductivity is discovered above ~5 GPa in both the I4/mcm and C2/m space groups. In the low-pressure phase (< 16 GPa), the antiferromagnetic transition temperature is enhanced with increasing pressure due to the enhanced magnetic exchange interactions. Magnetoresistance measurements indicate an interplay between the local moments of Eu2+ and the conduction electrons of Te 5p orbits. The upper critical field of the superconductivity is well above the Pauli limit. Across the structural transition to the high-pressure phase (> 16 GPa), EuTe2 becomes nonmagnetic and the superconducting transition temperature evolves smoothly with the upper critical field below the Pauli limit. Therefore, the high upper critical field of EuTe2 in the low-pressure phase is due to the exchange field compensation effect of the Eu magnetic order and the superconductivity in both structures may arise in the framework of the BCS theory.

cond-mat.supr-con↗

arXiv2021

Defect Engineered Room-Temperature Ferromagnetism in Quasi-Two-Dimensional Nitrided CoTa2O6

Thermal ammonolysis of quasi-two-dimensional (quasi-2D) CoTa2O6 yields the O2-/N3- and anionic vacancy ordered Co2+Ta5+2O6-xN2x/3$\Box$x/3 (x $\leq$ 0.15) that exhibits a transition from antiferromagnetism to defect engineered above room-temperature ferromagnetism as evidenced by diffraction, spectroscopic and magnetic characterizations. First-principles calculations reveal the origin of ferromagnetism is a particular CoON configuration with N located at Wyckoff position 8j, which breaks mirror symmetry about ab plane. A pressure-induced electronic phase transition is also predicted at around 24.5 GPa, accompanied by insulator-to-metal transition and magnetic moment vanishing.

cond-mat.mtrl-sci↗

arXiv2021

The Observation of Ferroelastic and Ferrielectric Domains in AgNbO3 Single Crystal

Compared to AgNbO3 based ceramics, the experimental investigations on the single crystalline AgNbO3, especially the ground state and ferroic domain structures, are not on the same level. Here in this work, based on successfully synthesized AgNbO3 single crystal using flux method, we observed the coexistence of ferroelastic and ferrielectric domain structures by a combination study of polarized light microscopy and piezoresponse force microscope, this finding may provide a new aspect for studying AgNbO3. The result also suggests a weak electromechanical response from the ferrielectric phase of AgNbO3 which is also supported by the transmission electron microscope characterization. Our results reveal that the AgNbO3 single crystal is in a polar ferrielectric phase at room temperature, clarifying its ground state which is controversial from the AgNbO3 ceramic materials.

cond-mat.mtrl-sci↗

arXiv2019

High CO2-tolerance oxygen permeation dual-phase membranes Ce0.9Pr0.1O2-{\delta}-Pr0.6Sr0.4Fe0.8Al0.2O3-{\delta}

High stability and oxygen permeability are two prominent requirements for the oxygen transport membrane candidates used as industrialization. Herein, we report several composite membranes based on xwt.%Ce0.9Pr0.1O2(CPO)-(100-x)wt.%Pr0.6Sr0.4Fe0.8Al0.2O3(PSFAO) (x = 50, 60 and 75) prepared via a modified Pechini method. Oxygen permeability test reveals that the 60CPO-40PSFAO composition exhibits the highest oxygen permeability. The oxygen permeation flux through the optimal uncoated 0.33 mm-thickness 60CPO-40PSFAO composite can reach 1.03 mL cm-2 min-1 (over the general requirement value of 1 mL cm-2 min-1) in air/He atmosphere at 1000 {\deg}C. In situ XRD performance confirms the optimal 60CPO-40PSFAO sample shows excellent stability in CO2-containing atmospheres. The 60CPO-40PSFAO membrane still exhibits simultaneously excellent oxygen permeability and phase stability after operating for over 100 h at air/CO2 condition at 1000 {\deg}C, which further indicates that the 60CPO-40PSFAO composite is likely to be used for oxygen supply in CO2 capture

physics.app-ph↗

arXiv2019

High-flux dual-phase percolation membrane for oxygen separation

A series of composites based on (100-x)wt.%Ce0.9Pr0.1O2-{\delta}-xwt.%Pr0.6Ca0.4FeO3-{\delta} (x = 25, 40 and 50) doped with the cheap and abundant alkaline earth metal Ca2+ at the A-site has been successfully designed and fabricated. The crystal structure, oxygen permeability, phase and CO2 stability were evaluated. The composition of 60wt.%Ce0.9Pr0.1O2-{\delta}-40wt.%Pr0.6Ca0.4FeO3-{\delta}(60CPO-40PCFO) possesses the highest oxygen permeability among three studied composites. At 1000 oC, the oxygen permeation fluxes through the 0.3 mm-thickness 60CPO-40PCFO membranes after porous La0.6Sr0.4CoO3-{\delta} each to 1.00 mL cm-2 min-1 and 0.62 mL cm-2 min-1 under air/He and air/CO2 gradients, respectively. In situ XRD results demonstrated that the 60CPO-40PCFO sample displayed a perfect structural stability in air as well as CO2-containing atmosphere. Thus, low-cost, Co-free and Sr-free 60CPO-40PCFO has high CO2 stability and is economical and environmental friendly since the expensive and volatile element Co was replaced by Fe and Sr was waived since it easily forms carbonates.

physics.app-ph↗

arXiv2019

The Unusual Suppression of Superconducting Transition Temperature in Double-Doping 2H-NbSe$_2$

2H-NbSe2 is one of the most widely researched transition metal dichalcogenide (TMD) superconductors, which undergoes charge-density wave (CDW) transition at TCDW about 33 K and superconducting transition at Tc of 7.3 K. To explore the relation between its superconductivity and Fermi surface nesting, we combined S substitution with Cu intercalation in 2H-NbSe2 to make CuxNbSe2-ySy. Upon systematic substitution of S and intercalation of Cu ions into 2H-NbSe2, we found that when the Cu and S contents increases, the Tc decreases in CuxNbSe2-ySy. While at higher x and y values, Tc keeps a constant value near 2 K, which is not commonly observed for a layered TMD. For comparison, we found the simultaneous substitution of Nb by Cu and Se by S in CuxNb1-xSe2-ySy lowered the Tc substantially faster. We construct a superconducting phase diagrams for our double-doping compounds in contrast with the related single-ions doping systems.

cond-mat.supr-con↗