Large Improvement of Thermoelectric Performance by Magnetism in Co-Based Full-Heusler Alloys.

Full-Heusler alloys (fHAs) exhibit high mechanical strength with earth-abundant elements, but their metallic properties tend to display small electron diffusion thermopower, limiting potential applications as excellent thermoelectric (TE) materials. Here, it is demonstrated that the Co-based fHAs Co2 XAl (X = Ti, V, Nb) exhibit relatively high thermoelectric performance due to spin and charge coupling. Thermopower contributions from different magnetic mechanisms, including spin fluctuation and magnon drag are extracted. A significant contribution to thermopower from magnetism compared to that from electron diffusion is demonstrated. In Co2 TiAl, the contribution to thermopower from spin fluctuation is higher than that from electron diffusion, resulting in an increment of 280 µW m-1  K-2 in the power factor value. Interestingly, the thermopower contribution from magnon drag can reach up to -47 µV K-1 , which is over 2400% larger than the electron diffusion thermopower. The power factor of Co2 TiAl can reach 4000 µW m-1  K-2 which is comparable to that of conventional semiconducting TE materials. Moreover, the corresponding figure of merit zT can reach ≈0.1 at room temperature, which is significantly larger than that of traditional metallic materials. The work shows a promising unconventional way to create and optimize TE materials by introducing magnetism.

Symmetry-Guaranteed High Carrier Mobility in Quasi-2D Thermoelectric Semiconductors.

Quasi-2D semiconductors have garnered immense research interest for next-generation electronics and thermoelectrics due to their unique structural, mechanical, and transport properties. However, most quasi-2D semiconductors experimentally synthesized so far have relatively low carrier mobility, preventing the achievement of exceptional power output. To break through this obstacle, a route is proposed based on the crystal symmetry arguments to facilitate the charge transport of quasi-2D semiconductors, in which the horizontal mirror symmetry is found to vanish the electron-phonon coupling strength mediated by phonons with purely out-of-plane vibrational vectors. This is demonstrated in ZrBeSi-type quasi-2D systems, where the representative sample Ba1.01 AgSb shows a high room-temperature hole mobility of 344 cm2 V-1 S-1 , a record value among quasi-2D polycrystalline thermoelectrics. Accompanied by intrinsically low thermal conductivity, an excellent p-type zT of ≈1.3 is reached at 1012 K, which is the highest value in ZrBeSi-type compounds. This work uncovers the relation between electron-phonon coupling and crystal symmetry in quasi-2D systems, which broadens the horizon to develop high mobility semiconductors for electronic and energy conversion applications.

An ingroup disadvantage in recognizing micro-expressions.

Micro-expression is a fleeting facial expression of emotion that usually occurs in high-stake situations and reveals the true emotion that a person tries to conceal. Due to its unique nature, recognizing micro-expression has great applications for fields like law enforcement, medical treatment, and national security. However, the psychological mechanism of micro-expression recognition is still poorly understood. In the present research, we sought to expand upon previous research to investigate whether the group membership of the expresser influences the recognition process of micro-expressions. By conducting two behavioral studies, we found that contrary to the widespread ingroup advantage found in macro-expression recognition, there was a robust ingroup disadvantage in micro-expression recognition instead. Specifically, in Study 1A and 1B, we found that participants were more accurate at recognizing the intense and subtle micro-expressions of their racial outgroups than those micro-expressions of their racial ingroups, and neither the training experience nor the duration of micro-expressions moderated this ingroup disadvantage. In Study 2A and 2B, we further found that mere social categorization alone was sufficient to elicit the ingroup disadvantage for the recognition of intense and subtle micro-expressions, and such an effect was also unaffected by the duration of micro-expressions. These results suggest that individuals spontaneously employ the social category information of others to recognize micro-expressions, and the ingroup disadvantage in micro-expression stems partly from motivated differential processing of ingroup micro-expressions.

Anomalous Thermoelectric Performance in Asymmetric Dirac Semimetal BaAgBi.

Multiple-band degeneracy has been widely recognized to be beneficial for high thermoelectric performance. Here, we discover that the p-type Dirac bands with lower degeneracy synergistically produce a higher Seebeck coefficient and electrical conductivity in topological semimetal BaAgBi. The anomalous transport phenomenon intrinsically originated from the asymmetric electronic structures: (i) complete p-type Dirac bands near the Fermi level facilitate high and strong energy-dependent hole relaxation time; (ii) the presence of additional parabolic conduction valleys allows for a large density of states to accept scattered electrons, leading to an enlarged hole-electron relaxation time ratio and, thus, weakened bipolar effect. In combination with the strong lattice anharmonicity, an exceptional p-type average ZT of 0.42 is achieved from 300 to 600 K, which can be dramatically enhanced to 1.38 via breaking the C3v symmetry. This work uncovers the underlying mechanisms governing the abnormal transport behavior in Dirac semimetal BaAgBi and highlights the asymmetric electronic structures as target features to discover/design high-performance thermoelectric materials.

Exploring Low Power and Ultrafast Memristor on p-Type van der Waals SnS.

Memristor devices that exhibit high integration density, fast speed, and low power consumption are candidates for neuromorphic devices. Here, we demonstrate a filament-based memristor using p-type SnS as the resistive switching material, exhibiting superlative metrics such as a switching voltage ∼0.2 V, a switching speed faster than 1.5 ns, high endurance switching cycles, and an ultralarge on/off ratio of 108. The device exhibits a power consumption as low as ∼100 fJ per switch. Chip-level simulations of the memristor based on 32 × 32 high-density crossbar arrays with 50 nm feature size reveal on-chip learning accuracy of 87.76% (close to the ideal software accuracy 90%) for CIFAR-10 image classifications. The ultrafast and low energy switching of p-type SnS compared to n-type transition metal dichalcogenides is attributed to the presence of cation vacancies and van der Waals gap that lower the activation barrier for Ag ion migration.

Atomic-Scale Visualization and Quantification of Configurational Entropy in Relation to Thermal Conductivity: A Proof-of-Principle Study in t-GeSb2Te4.

It remains a daunting task to quantify the configurational entropy of a material from atom-revolved electron microscopy images and correlate the results with the material's lattice thermal conductivity, which strides across statics, dynamics, and thermal transport of crystal lattice over orders of magnitudes in length and time. Here, a proof-of-principle study of atomic-scale visualization and quantification of configurational entropy in relation to thermal conductivity in single crystalline trigonal GeSb2Te4 (aka t-GeSb2Te4) with native atomic site disorder is reported. A concerted effort of large t-GeSb2Te4 single crystal growth, in-lab developed analysis procedure of atomic column intensity, the visualization and quantification of configurational entropy including corresponding modulation, and thermal transport measurements enable an entropic "bottom-up" perspective to the lattice thermal conductivity of t-GeSb2Te4. It is uncovered that the configurational entropy increases phonon scattering and reduces phonon mean free path as well as promotes anharmonicity, thereby giving rise to low lattice thermal conductivity and promising thermoelectric performance. The current study sheds lights on an atomic scale bottom-up configurational entropy design in diverse regimes of structural and functional materials research and applications.

Dynamic Epitaxial Crystallization of SnSe2 on the Oxidized SnSe Surface and Its Atomistic Mechanisms.

Surface oxidation of SnSe sharply reduces its thermoelectric properties though the bulk single-crystalline materials of SnSe claim the record high zT values. Investigation on the oxidation behaviors of SnSe together with the subsequent phase transition and element migration is fundamentally important to maintaining the ultrahigh zT values, with a potential for further improvement. In this work, we disclose the dynamic epitaxial crystallization of SnSe2 on the amorphous surface of partially oxidized SnSe crystals and the corresponding atomistic mechanisms via transmission electron microscopy (TEM). It is revealed that the thermally annealed amorphous surface crystallized to SnO2 and SnSe2 in the outermost and secondary layers, respectively, forming distinctive SnSe/SnSe2/SnO2 multilayer heterostructures with specific orientation relationships between the two selenides. By means of in situ scanning TEM (STEM), the dynamic epitaxial crystallization process of SnSe2 was revealed when the oxidized SnSe surface was subjected to electron beam irradiation. Through the atomic-scale characterization and modeling analysis, we find that the exposed dangling Se diatoms on the SnSe surface serve as nucleation sites for lateral epitaxial crystallization of SnSe2. The same valence and similar coordination configuration of Se atoms in these two phases are supposed to facilitate the sharing of Se atoms, with lattice distortions in the SnSe2/SnSe interface. These findings are valuable for understanding the surface oxidation behavior of SnSe and revealing the interface structures of SnSe2/SnSe heterojunctions and also offering new routes for SnSe-related multilayer or heterostructure system design.

Synergistic Strategy to Enhance the Thermoelectric Properties of CoSbS1-xSex Compounds via Solid Solution.

High thermal conductivity of CoSbS-based limited its own prospect application in thermoelectric energy conversion. Solid solution is an effective approach to optimize the performance of thermoelectric materials with high lattice thermal conductivity because of the enhanced phonons scattering from disorder atoms. In this paper, we have synthesized and measured the thermoelectric properties of solid solution CoSbS1-xSex (x = 0, 0.05, 0.10, 0.15, 0.20, 0.30) series samples. The collaborative optimization (enhancing the power factors and reducing the thermal conductivities) to add zT values were realized via substitution of S atoms with the isoelectronic Se atoms in the matrix. Meanwhile, the lowest room temperature lattice thermal conductivity in CoSbS-based materials is obtained (4.72 W m-1 K-1) at present. Benefiting from the results of synergistic strategy, a zT of 0.35 was achieved at 923 K for sample CoSbS0.85Se0.15, a 59% improvement as compared with that of the pristine CoSbS. Band calculation demonstrated that CoSbS0.85Se0.15 present a similar band dispersion with CoSbS. The mechanism of point defect scattering for reducing the lattice thermal conductivity at room temperature, was also analyzed by the Callaway model. The contributions to decrease the room temperature lattice thermal conductivity from the mass and the strain fluctuation in the crystal are comparable. These results can also be extended to other high-efficiency thermoelectric materials with stiff bond and smaller Gruneisen parameters.

Raising the Thermoelectric Performance of Fe3CoSb12 Skutterudites via Nd Filling and In-Situ Nanostructuring.

p-type skutterudites NdxFe3CoSb12 with x equaling 0.8, 0.85, 0.9, 0.95, 1.0 have been synthesized by solid state reaction followed by spark plasma sintering. The influence of Nd filling on electrical and thermal transport properties has been investigated in the Nd-filled skutterudite compounds in the temperature range from room temperature to 800 K. It was found that the Seebeck coefficient is drastically enhanced via filling Nd in p-Type skutterudites as well as the corresponding power factor although electrical conductivity is reduced. In addition, a large reduction in thermal conductivity is achieved by Nd fillers through rattling effect along with the in-situ nanostructured precipitate through scattering phonons with much wider frequency. These concomitant effects result in an enhanced thermoelectric performance with the dimensionless figure of merit ZT. These observations demonstrate an exciting scientific opportunity to raise the figure-of-merit of p-type skutterudites.