arXiv subjects

Panshuo Wang

Publications and source records attributed to Panshuo Wang.

6 recordsLinked to original sources

arXiv2026

Weyl points enabling significant enhancement of thermoelectric performance in an antiferromagnetic van der Waals metal GdTe3

Magneto-thermoelectric (MTE) effect has demonstrated significant ad-vantages in achieving optimal thermoelectric (TE) properties compared to conventional methods. Topological materials pro-vide a unique platform for investigating the MTE effect, leveraging their exotic electronic structure topology. In this study, we report that the topological material GdTe3 exhibits an unsaturated power factor of up to 18846 μW m-1 K-1 under a magnetic field of 13.5 T at 20 K, which represents the highest value observed in metallic systems and surpasses most state-of-the-art TE materials. The relative enhancement under magnetic field in thermopower and power factor reaches 873% and 1075%, respectively, attributed to the Weyl points contribution resulting from the field-induced topological transition, as confirmed by our theoretical calculations. Our findings demonstrate a promising candidate for solid-state cooling and reveal the substantial contribution of Weyl points to TE enhancement, thereby offering a novel approach to optimizing TE properties in topological materials.

cond-mat.mtrl-sci↗

arXiv2024

Mechanism of Type-II Multiferroicity in Pure and Al-Doped CuFeO$_2$

Type-II multiferroicity, where electric polarization is induced by specific spin patterns, is crucial in fundamental physics and advanced spintronics. However, the spin model and magnetoelectric coupling mechanisms in prototypical type-II multiferroic CuFeO$_2$ and Al-doped CuFeO$_2$ remain unclear. Here, by considering both spin and alloy degrees of freedom, we develop a magnetic cluster expansion method, which considers all symmetry allowed interactions. Applying such method, we not only obtain realistic spin model that can correctly reproduce observations for both CuFeO$_2$ and CuFe$_{1-x}$Al$_x$O$_2$, but also revisit well-known theories of the original spin-current (SC) model and $p$-$d$ hybridization model. Specifically, we find that (i) a previously overlooked biquadratic interaction is critical to reproduce the $\uparrow\uparrow\downarrow\downarrow$ ground state and excited states of CuFeO$_2$; (ii) the combination of absent biquadratic interaction and increased magnetic frustration around Al dopants stabilizes the proper screw state; and (iii) it is the generalized spin-current (GSC) model that can correctly characterize the multiferroicity of CuFeO$_2$. These findings have broader implications for understanding novel magnetoelectric couplings in, e.g., monolayer multiferroic NiI$_2$.

cond-mat.mtrl-sci↗

arXiv2022

Rational design of large anomalous Nernst effect in Dirac semimetals

Anomalous Nernst effect generates a transverse voltage perpendicular to the temperature gradient. It has several advantages compared with the longitudinal thermoelectricity for energy conversion, such as decoupling of electronic and thermal transports, higher flexibility, and simpler lateral structure. However, a design principle beyond specific materials systems for obtaining a large anomalous Nernst conductivity (ANC) is still absent. In this work, we theoretically demonstrate that a pair of Dirac nodes under a Zeeman field manifests a double-peak anomalous Hall conductivity curve with respect to the chemical potential and a compensated carriers feature, leading to an enhanced ANC pinning at the Fermi level compared with that of a simple Weyl semimetal with two Weyl nodes. Based on first-principles calculations, we then provide two Dirac semimetal candidates, i.e., Na3Bi and NaTeAu, and show that under a Zeeman field they exhibit a sizable ANC value of 0.4 A/(m*K) and 1.3 A/(m*K), respectively, near the Fermi level. Our work provides a design principle with a prototype band structure for enhanced ANC pinning at Fermi level, shedding light on the inverse design of other specific functional materials base on electronic structure.

cond-mat.mtrl-sci↗

arXiv2022

Role of hidden spin polarization in non-reciprocal transport of antiferromagnets

The discovery of hidden spin polarization (HSP) in centrosymmetric nonmagnetic crystals, i.e., spatially distributed spin polarization originated from local symmetry breaking, has promised an expanded material pool for future spintronics. However, the measurements of such exotic effects have been limited to subtle space- and momentum-resolved techniques, unfortunately hindering their applications. Here, we theoretically predict macroscopic non-reciprocal transports induced by HSP when coupling another spatially distributed quantity, such as staggered local moments in a PT-symmetric anti-ferromagnet. By using a four-band model Hamiltonian, we demonstrate that HSP plays a crucial role in determining the asymmetric bands with respect to opposite momenta. Such band asymmetry leads to non-reciprocal nonlinear conductivity, exemplified by tetragonal CuMnAs via first-principles calculations. We further provide the material design principles for large nonlinear conductivity, including two-dimensional nature, multiple band crossings near the Fermi level, and symmetry protected HSP. Our work not only reveals direct spintronic applications of HSP (such as Néel order detection), but also sheds light on finding observables of other ''hidden effects'', such as hidden optical polarization and hidden Berry curvature.

cond-mat.mtrl-sci↗

arXiv2022

A topological transition-induced giant transverse thermoelectric effect in polycrystalline Dirac semimetal Mg3Bi2

To achieve thermoelectric energy conversion, a large transverse thermoelectric effect in topological materials is crucial. However, the general relationship between topological electronic structures and transverse thermoelectric effect remains unclear, restricting the rational design of novel transverse thermoelectric materials. Herein, we demonstrate a topological transition-induced giant transverse thermoelectric effect in polycrystalline Mn-doped Mg3+δBi2 material, which has a competitively large transverse thermopower (617 uV/K), power factor (20393 uWm-1K-2), magnetoresistance (16600%), and electronic mobility (35280cm2V-1S-1). The high performance is triggered by the modulation of chemical pressure and disorder effects in the presence of Mn doping, which induces the transition from a topological insulator to a Dirac semimetal. The high-performance polycrystalline Mn-doped Mg3+δ Bi2 described in this work robustly boosts transverse thermoelectric effect through topological phase transition, paving a new avenue for the material design of transverse thermoelectricity.

cond-mat.mtrl-sci↗

arXiv2022

Giant transverse and longitudinal magneto-thermoelectric effect in polycrystalline nodal-line semimetal Mg3Bi2

Topological semimetals provide new opportunities for exploring new thermoelectric phenomena, because of their exotic and nontrivial electronic structure topology around the Fermi surface. In this study, we report on the discovery of giant transverse and longitudinal magneto-thermoelectric (MTE) effects in Mg3Bi2, which is predicted to be a type-II nodal-line semimetal in the absence of spin-orbit coupling (SOC). The maximum transverse power factor is 2182 μWm^{-1}K^{-2} at 13.5 K and 6 Tesla. The longitudinal power factor reaches up to 3043μWm^{-1}K^{-2} at 15 K and 13 Tesla, which is 20 times higher than in a zero-strength magnetic field and is also comparable to state-of-the-art MTE materials. By compensating Mg loss in the Mg-rich conditions for turning carrier concentration, the sample obtained in this work shows a large linear non-saturating magnetoresistance of 940% under a field of 14 Tesla. This is a two-orders-of-magnitude increase with respect to the normal Mg-deficiency Mg3Bi2 sample. Using density functional calculations, we attribute the underlying mechanism to the parent nodal-line electronic structure without SOC and the anisotropic Fermi surface shape with SOC, highlighting the essential role of high carrier mobility and open electron orbits in moment space. Our work offers a new avenue toward highly efficient thermoelectric materials through the design of Fermi surfaces with special topological electronic structures in novel quantum materials.

cond-mat.mtrl-sci↗