Optimization of carrier concentration plays an important role on maximizing thermoelectric performance. Existing efforts mainly focus on aliovalent doping, while intrinsic defects (e.g., vacancies) provide extra possibilities. Thermoelectric GeTe intrinsically forms in off-stoichiometric with Ge-vacancies and Ge-precipitates, leading to a hole concentration significantly higher than required. In this work, Sb2Te3 having a smaller cation-to-anion ratio, is used as a solvend to form solid solutions with GeTe for manipulating the vacancies. This is enabled by the fact that each substitution of 3 Ge2+ by only 2 Sb3+ creates 1 Ge vacancy, because of the overall 1:1 cation-to-anion ratio of crystallographic sites in the structure and by the charge neutrality. The increase in the overall Ge-vacancy concentration facilitates Ge-precipitates to be dissolved into the matrix for reducing the hole concentration. In a combination with known reduction in hole concentration by Pb/Ge-substitution, a full optimization on hole concentration is realized. In addition, the resultant high-concentration point defects including both vacancies and substitutions strongly scatter phonons and reduce the lattice thermal conductivity to the amorphous limit. These enable a significantly improved thermoelectric figure of merit at working temperatures of thermoelectric GeTe.

GeTe experiences phase transition between cubic and rhombohedral through distortion along the [111] direction. Cubic GeTe shares the similarity of a two-valence-band structure (high-energy L and low-energy Σ bands) with other cubic IV–VI semiconductors such as PbTe, SnTe, and PbSe, and all show a high thermoelectric performance due to a high band degeneracy. Very recently, the two valence bands were found to switch in energy in rhombohedral GeTe and to be split due to symmetry-breaking of the crystal structure. This enables the overall band degeneracy to be manipulated either by the control of symmetry-induced degeneracy or by the design of energy-aligned orbital degeneracy. Here, we show Sb-doping for optimizing carrier concentration and manipulating the degree of rhombohedral lattice distortion to maximize the band degeneracy and then electronic performance. In addition, Sb-doping significantly promotes the solubility of PbTe, enhancing the scattering of phonons by Ge/Pb substitutional defects for minimizing the lattice thermal conductivity. This successfully realizes a superior thermoelectric figure of merit, zT of >2 in both rhombohedral and cubic GeTe, demonstrating these alloys as top candidates for thermoelectric applications at T < 800 K. This work further sheds light on the importance of crystal structure symmetry manipulation for advancing thermoelectrics.

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Constraints on models of scalar and vector leptoquarks decaying to a quark and a neutrino at √ s = 13 TeVThe CMS Collaboration * AbstractThe results of a previous search by the CMS Collaboration for squarks and gluinos are reinterpreted to constrain models of leptoquark (LQ) production. The search considers jets in association with a transverse momentum imbalance, using the M T2 variable. The analysis uses proton-proton collision data at √ s = 13 TeV, recorded with the CMS detector at the LHC in 2016 and corresponding to an integrated luminosity of 35.9 fb −1 . Leptoquark pair production is considered with LQ decays to a neutrino and a top, bottom, or light quark. This reinterpretation considers higher mass values than the original CMS search to constrain both scalar and vector LQs. Limits on the cross section for LQ pair production are derived at the 95% confidence level depending on the LQ decay mode. A vector LQ decaying with a 50% branching fraction to tν, and 50% to bτ, has been proposed as part of an explanation of anomalous flavor physics results. In such a model, using only the decays to tν, LQ masses below 1530 GeV are excluded assuming the Yang-Mills case with coupling κ = 1, or 1115 GeV in the minimal coupling case κ = 0, placing the most stringent constraint to date from pair production of vector LQs.Published in Physical Review D as

Band convergence has been proven as an effective approach for enhancing thermoelectric performance, particularly in p-type IV–VI semiconductors, where the superior electronic performance originates from the contributions of both L and Σ band valleys when they converge to have a small energy offset. When alloying with cubic IV–VI semiconductors, CdTe has been found as an effective agent for achieving such a band convergence. This work focuses on the effect of CdTe-alloying on the thermoelectric transport properties of GeTe, where the carrier concentration can be tuned in a broad range through Bi-doping on Ge site. It is found that CdTe-alloying indeed helps to converge the valence bands of GeTe in both low-T rhombohedral and high-T cubic phases for an increase in Seebeck coefficient with a decrease in mobility. In addition, the strong phonon scattering due to the existence of high-concentration Cd/Ge and Bi/Ge substitutions leads the lattice thermal conductivity to be reduced to as low as 0.6 W/(m-K). These lead to an effectively increased average thermoelectric figure of merit (ZT ave ∼ 1.2) at 300–800 K, which is higher than that of many IV–VI materials with CdTe-alloying or alternatively with MnTe-, MgTe-, SrTe-, EuTe-, or YbTe-alloying for a similar band convergence effect.

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As a typical class of Zintl thermoelectrics, AB2C2 (A = Eu, Yb, Ba, Ca, Mg; B = Zn, Cd, Mg, and C = Sb, Bi) compounds have shown a superior thermoelectric performance, largely stemming from the existence of multiple transporting bands in both conduction types. Being similar to many III–V and elemental semiconductors, the transport of holes in AB2C2 Zintls usually involves multiple valence bands with extrema at the Brillouin zone center Γ. However, these valence bands, originating from different orbitals, are unnecessarily aligned in energy due to the crystal field splitting. Formation of solid solutions between constituent compounds having opposite arrangements in energy of band orbitals is believed to be particularly helpful for thermoelectric enhancements, because orbital alignment increases band degeneracy while alloy defects scatter phonons. These effects are simultaneously realized in this work, where the p orbitals of anions in YbCd2–x Zn x Sb2 alloys are well-aligned for maximizing the electronic performance, and meanwhile high-concentration Cd/Zn substitutions are introduced for minimizing the lattice thermal conductivity. As a result, a significantly enhanced thermoelectric figure of merit, zT ∼ 1.3, is achieved, being a record among AB2C2 Zintls in p-type. This work demonstrates not only YbCd2–x Zn x Sb2 alloys as efficient thermoelectrics but also orbital alignment as an effective strategy for advancing thermoelectrics.

Coal-gas outburst, rock burst, and other mine dynamic disasters are closely related to the instability and failure of coal-rock. Coal-rock is the assemblies of mineral particles of varying sizes and shapes bonded together by cementing materials. The damage and rupture process of coal-rock is accompanied by acoustic emission (AE), which can be used as an effective means to monitor and predict the instability of coal-rock body. In this manuscript, considering the size effect of coal-rock, the influence of different height to diameter ratio on the acoustic emission characteristics of coal-rock damage evolution was discussed by microparticle flow PFC2D software platform. The results show that coal-rock size influences the uniaxial compressive strength, peak strain, and elastic modulus of itself; the size effect has little effect on the acoustic emission law of coal-rock damage and the effects of the size of coal-rock samples on acoustic emission characteristics are mainly reflected in three aspects: the triggering time of acoustic emission, the strain range of strong acoustic emission, and the intensity of acoustic emission; the damage evolution of coal-rock specimen can be divided into 4 stages: initial damage, stable development, accelerated development, and damage.