arXiv subjects

Zhehong Liu

Publications and source records attributed to Zhehong Liu.

8 recordsLinked to original sources

arXiv2026

Single-crystal structural phase diagram of stoichiometric bilayer nickelate La3Ni2O7 under hydrostatic pressure

The bilayer nickelate La3Ni2O7 has attracted intense interest following the discovery of high-temperature superconductivity under pressure, representing the first nickelate superconductor realized in bulk form. However, the crystal structure of the superconducting phase remains under active discussion, complicating efforts to establish its microscopic origin. Here we resolve these structural controversies by establishing a definitive pressure-temperature phase diagram, including the superconducting region of stoichiometric La3Ni2O7 single crystals under hydrostatic conditions using helium as the pressure-transmitting medium. At ambient pressure, La3Ni2O7 adopts a polar orthorhombic Am2m structure characterized by charge order between inequivalent Ni sites and NiO6 octahedral tilting. Upon compression, the system undergoes a direct transition from the charge-ordered Am2m phase to the tetragonal I4/mmm phase near 10 GPa, coinciding with the onset of bulk superconductivity. These results establish the intrinsic structural evolution of La3Ni2O7 and provide a structural framework for microscopic theories of nickelate superconductivity.

cond-mat.supr-con↗

arXiv2026

Density-wave phases, anisotropic transport, and Planckian dissipation in single crystals of the superconductor La3Ni2O7

Pressure-induced superconductivity in bilayer nickelates provides a platform for investigating intertwined roles of charge/spin orders and electric transport in unconventional superconductivity. However, important quantitative information on the transport, such as the absolute value of the resistivity, the anisotropy, and the scattering rate of carriers, remains insufficient due to the lack of accurate measurements using large single crystals. Here we establish a high-precision pressure-temperature phase diagram of high-quality La3Ni2O7 single crystals, by measuring the in-plane and out-of-plane resistivities. We resolve two distinct anomalies associated with density-wave formation with contrasting pressure dependences. The pressure-induced structural transition enhances not only the resistivity values for both directions, but also its anisotropy at low temperatures, demonstrating a pronounced effect of density-wave order on the charge dynamics. Superconductivity with zero-resistance emerges near the boundary where the density-wave phases are fully suppressed, and above Tc, the resistivity exhibits a temperature-linear dependence over a wide temperature range while the scattering rate falls within a regime of the Planckian limit. Our results show that pressure dramatically changes the anisotropic charge transport via modifying density-wave orders, and eventually produces a pronounced strange-metal state with strong scatterings, from which superconductivity develops. This establishes robust density-wave correlations and Planckian dissipation as remarkable features of La3Ni2O7.

cond-mat.supr-con↗

arXiv2025

Anomalous lattice specific heat and rattling phonon modes in quadruple perovskites

Experimental data on the specific heat $C_p$ of quadruple perovskites ACu$_3$Fe$_2$Re$_2$O$_{12}$ (A = Mn, Cu, La, Ce, Dy) are presented, demonstrating an anomalous concave-down $C_p/T$ vs. $T^2$ curve and a bell-shaped feature in $β(T) = (C_p - γT)/T^3$ plotted against $T$ on a logarithmic scale. This feature is most pronounced for A = Cu and Mn. These findings can be explained by the rattling phenomenon, previously identified in other systems such as filled skutterudites and $β$-pyrochlores. Using first-principles DFT+U calculations, the presence of a rattling mode in A = Mn system is directly confirmed. A qualitative interpretation of the rattling mechanism in terms of a pseudo-Jahn-Teller effect is proposed.

cond-mat.mtrl-sci↗

arXiv2025

Exchange interaction in ACu3Fe2Re2O12 quadruple perovskites

Quadruple perovskites ACu$_3$Fe$_2$Re$_2$O$_{12}$ attract considerable interest due to their high Curie temperatures (up to $710$K), which strongly depend on the A-site cation. In this work, we employ first-principles calculations to investigate their electronic structure and magnetic exchange interactions. A band mechanism of magnetism that explains the antiferromagnetic character of the exchange interactions and their strong dependence on the filling of the Re $t_{2g}$ states is proposed. These antiferromagnetic interactions stabilize ferrimagnetic ground state. The calculated Curie temperatures, obtained within the Onsager reaction field theory, are in a good agreement with experimental data.

cond-mat.mtrl-sci↗

arXiv2025

Mixed anion control of enhanced negative thermal expansion in the oxysulfide of PbTiO3

The rare physical property of negative thermal expansion (NTE) is intriguing because materials with large NTE over a wide temperature range can serve as high-performance thermal expansion compensators. However, applications of NTE are hindered by the fact that most of the available NTE materials show small magnitudes of NTE, and/or NTE occurs only in a narrow temperature range. Herein, for the first time, we investigated the effect of anion substitution instead of general Pb/Ti-site substitutions on the thermal expansion properties of a typical ferroelectric NTE material, PbTiO3. Intriguingly, the substitution of S for O in PbTiO3 further increases the tetragonality of PbTiO3. Consequently, an unusually enhanced NTE with an average volumetric coefficient of thermal expansion $\barα_V$ = -2.50 $\times$ 10$^{-5}$/K was achieved over a wide temperature range (300 -- 790 K), which is contrasted to that of pristine PbTiO3 ($\barα_V$ = -1.99 $\times$ 10$^{-5}$/K RT -- 763 K). The intensified NTE is attributed to the enhanced hybridization between Pb/Ti and O/S atoms by the substitution of S, as evidenced by our theoretical investigations. We therefore demonstrate a new technique for introducing mixed anions to achieve large NTE over a wide temperature range in PbTiO3-based ferroelectrics.

cond-mat.mtrl-sci↗

arXiv2022

Discovery of a metallic oxide with ultralow thermal conductivity

A compound with metallic electrical conductivity usually has a considerable total thermal conductivity because both electrons and photons contribute to thermal transport. Here, we show an exceptional example of iridium oxide, Bi3Ir3O11, that concurrently displays metallic electrical conductivity and ultralow thermal conductivity approaching 0.61 W m-1 K-1 at 300 K. The compound crystallizes into a cubic structural framework with space group Pn-3. The edge- and corner-sharing IrO6 octahedra with a mixed Ir4.33+ charge state favor metallic electrical transport. Bi3Ir3O11 exhibits an extremely low lattice thermal conductivity close to the minimum limit in theory owing to its tunnel-like structure with filled heavy atoms Bi rattling inside. Theoretical calculations reveal the underlying mechanisms for the extraordinary compatibility between metallic electrical conductivity and ultralow thermal conductivity. This study may establish a new avenue for designing and developing unprecedented heat-insulation metals.

cond-mat.mtrl-sci↗

arXiv2022

Physical realization of topological Roman surface by spin-induced ferroelectric polarization in cubic lattice

Topology, a mathematical concept in geometry, has become an ideal theoretical tool for describing topological states and phase transitions. Many topological concepts have found their physical entities in real or reciprocal spaces identified by topological/geometrical invariants, which are usually defined on orientable surfaces such as torus and sphere. It is natural to quest whether it is possible to find the physical realization of more intriguing non-orientable surfaces. Herein, we show that the set of spin-induced ferroelectric polarizations in cubic perovskite oxides AMn3Cr4O12 (A = La and Tb) resides on the topological Roman surface, a non-orientable two-dimensional manifold formed by sewing a Mobius strip edge to that of a disc. The induced polarization may travel in a loop along the non-orientable Mobius strip or orientable disc depending on how the spin evolves as controlled by external magnetic field. Experimentally, the periodicity of polarization can be the same or the twice of the rotating magnetic field, being well consistent with the orientability of disc and Mobius strip, respectively. This path dependent topological magnetoelectric effect presents a way to detect the global geometry of the surface and deepens our understanding of topology in both mathematics and physics

cond-mat.str-el↗

arXiv2019

High-pressure synthesis and spin glass behavior of a Mn/Ir disordered quadruple perovskite CaCu3Mn2Ir2O12

A new 3d-5d hybridized quadruple perovskite oxide, CaCu3Mn2Ir2O12, was synthesized by high-pressure and high-temperature methods. The Rietveld structure analysis reveals that the compound crystallizes in an AA'3B4O12-type perovskite structure with space group Im-3, where the Ca and Cu are 1:3 ordered at fixed atomic positions. At the B site the 3d Mn and the 5d Ir ions are disorderly distributed due to a rare equal +4 charge states for both of them as determined by X-ray absorption spectroscopy. The competing antiferromagnetic and ferromagnetic interactions among Cu2+, Mn4+, and Ir4+ ions give rise to spin glass behavior, which follows a conventional dynamical slowing down model.

cond-mat.mtrl-sci↗