Ge Incorporation Research Articles

Pseudo-Nanostructuring and Grain Refinement Enhance the Near-Room-Temperature Thermoelectric Performance in n-type PbSe.

PbSe, a promising Te-free thermoelectric material for medium-temperature applications, has garnered considerable attention due to its substantial thermoelectric potential and relatively low cost. However, the vast majority of research on polycrystalline PbSe thermoelectrics has focused primarily on improving its medium-temperature performance, often neglecting the enhancement of near-room-temperature performance and effective module design. Here, an n-type polycrystalline PbSe material (Cu0.01Pb0.85Ge0.15Se) is presented that exhibits a room-temperature zT of ≈0.6 and an average zT of 0.86 from 303 to 523K. This superior performance is realized through the incorporation of a high-concentration Ge into n-type Cu0.01PbSe, which induces a novel pseudo-nanostructure and grain refinement, promoting electron-phonon decoupling. Based on this, seven-pair module devices are fabricated, achieving a record-high conversion efficiency of up to 5.1% at a temperature difference of only 228K, and an unprecedented maximum cooling temperature difference of 47.2K when the hot-side temperature is 350K. The findings provide a strong foundation for advancing Te-free polycrystalline PbSe-based materials for thermoelectric cooling and low-temperature power generation.

Underlying principles of Ge-induced early cluster-to-layer transition for ultrathin Ag layer formation on oxides

The fabrication of continuous Ag layers with thicknesses of <10 nm are challenging. Moreover, information on the crucial factors responsible for early cluster-to-layer transition is limited. Hence, this study focuses on the effects of thin Ge interlayers in forming Ag layers on SiOx substrates. Experimental and numerical analyses demonstrate the active migration and intermixing of atomic Ge in the Ag and SiOx matrices during the early Ag layering stages. The incorporation of Ge into Ag matrices facilitates a faster cluster-to-layer transition than those with Al and Cu. Ge-mediated Ag clustering reduces the rearrangement momenta of extremely small Ag clusters densely concentrated on SiOx substrates. This is attributed to the Ge-induced reduction in the diffusion of atomic Ag in the surfaces of volatile Ag clusters and consequently, the suppression of cluster coalescence. These findings provide insights into the unconventional role of Ge in Ag clustering dynamics. Thus, this study presents a crucial framework for optimizing Ag wetting on oxide substrates with ultralow optical and electrical losses via extreme dissipation of the residual amounts of metalloid wetting-inducing elements.

Impact of strain relaxation on the growth rate of heteroepitaxial germanium tin binary alloy

The growth of high-quality germanium tin (Ge1–y Sn y ) binary alloys on a Si substrate using chemical vapor deposition (CVD) techniques holds immense potential for advancing electronics and optoelectronics applications, including the development of efficient and low-cost mid-infrared detectors and light sources. However, achieving precise control over the Sn concentration and strain relaxation of the Ge1–y Sn y epilayer, which directly influence its optical and electrical properties, remain a significant challenge. In this research, the effect of strain relaxation on the growth rate of Ge1–y Sn y epilayers, with Sn concentration >11at.%, is investigated. It is successfully demonstrated that the growth rate slows down by ~55% due to strain relaxation after passing its critical thickness, which suggests a reduction in the incorporation of Ge into Ge1–y Sn y growing layers. Despite the increase in Sn concentration as a result of the decrease in the growth rate, it has been found that the Sn incorporation rate into Ge1–y Sn y growing layers has also decreased due to strain relaxation. Such valuable insights could offer a foundation for the development of innovative growth techniques aimed at achieving high-quality Ge1–y Sn y epilayers with tuned Sn concentration and strain relaxation.

Germanium and its isotopes as indicators of hydrogeochemical conditions in a terrestrial geothermal system (Karkonosze granitoid, Sudetes, Poland)

The germanium content and its isotope ratio in thermal waters, aquifer rocks and main silicate minerals in a terrestrial groundwater system located in a granitic pluton (Karkonosze granitoid, Sudetes, Poland) have been investigated. This is the first extensive Ge isotope study carried out in both groundwater and aquifer rocks to better understand previously the identified enrichment of groundwater relative to rocks. This research also provides the first data on δ74/70Ge for hybrid acid rocks formed by mixing magmas from two different sources (mantle- and crustal-derived) and main silicate minerals. The Ge isotopic composition in different facies of granite (porphyritic, equigranular) is comparable (δ74/70Ge of 0.43–1.23‰) to its hybrid rocks (quartz diorite–granodiorite, microgranular magmatic enclaves, composite dykes) – 0.79–1.27‰. However, the range of variability of this feature is quite wide. The minerals have δ74/70Ge values of 1.01–1.04‰ in quartz, 0.84–0.90‰ in alkali feldspars, 0.76–0.88‰ in plagioclase, and 0.36–0.39‰ in biotite. The thermal waters are enriched in heavy Ge isotopes (δ74/70Ge of 1.21–2.78‰) relative to the aquifer rocks (δ74/70Ge of 0.43–1.27‰). Currently, the most likely explanation for this is the influence of secondary mineral phases formed in the geothermal granitic system. This comprises the preferential incorporation and adsorption of light Ge isotopes in/onto iron oxide/hydroxides and clay minerals. The other theoretical explanation, i.e., sulfide formation, is unlikely due to the unfavourable hydrogeochemical conditions in the studied system. The δ74/70Ge values of thermal waters are similar to those of previously studied continental geothermal waters (1.65–3.29‰; Siebert et al., 2011) and fresh groundwater (2.24–4.02‰; Baronas et al., 2020), confirming that groundwater enrichment in heavy Ge isotopes relative to aquifer rocks may be widespread in the upper continental crust. Variation in the isotopic composition of the studied thermal waters is a result of the aquifer rock mineralogy and, in some cases, mixing of the old deep-circulating thermal water with the shallow modern cold groundwater. The general similarities in the chemical composition of the studied waters are due to the influence of porphyritic granite, which is the dominant rock type in this aquifer system. Some differences in chemical composition, including differences in the Ge isotopic composition, are related to the local distribution of hybrid rocks and sulfides. The δ74/70Ge and Ge/Si ratios have been shown to be sensitive indicators of local hydrogeochemical conditions in an alimentation zone and a near-borehole zone of particular water intakes.

Enhancement of redox cycling stability of Ni/GDC cermets for intermediate-temperature SOFC anodes through Ge incorporation in the ceramic phase

In this study, Ge4+ was incorporated into the ceramic matrix of nickel-based anode materials, synthesizing anode materials NiO-Gd0.1Ce0.9-xGexO1.95 (x = 0.01, 0.04, 0.07) and NiO-Ce0.9Gd0.1O2–δ. Corresponding anode support samples were also prepared, designated as A-CGDC, A-C1Ge, A-C4Ge, and A-C7Ge. Additionally, single cell samples using the newly co-doped anode materials were prepared, identified as C-CGDC, C-C1Ge, C-C4Ge, and C-C7Ge. The research indicates that after doping the ceramic phase framework with Ge4+, these composite anode materials exhibit the potential to withstand more redox cycles than C-CGDC without catastrophic mechanical structural damage or degradation in electrochemical performance. Particularly, after incorporating 7mol% Ge4+ into the ceramic backbone, the issue of 86 % strain accumulation in the anode support was mitigated. Additionally, the ion doping ratio is closely linked to the stability of the single cell samples, with the A-C7Ge sample able to withstand up to 11 extreme recycling sessions at 700 °C without complete structural failure, improving structural stability by approximately 57 % compared to A-C1Ge. In terms of electrochemical output performance, the impedance of C-C1Ge prior to complete failure was nearly double that before oxidation-reduction, with a maximum power density reduction of about 26.47 %. As the co-doping concentration in the ceramic phase reached 7mol%, the impedance increase during single cell cycle testing was about four times smaller, with C-C7Ge 's impedance before mechanical failure only 37 % higher than before cycling, and a reduction in maximum power density of just 11.11 %. Moreover, during consecutive cycling tests, the average damage to the open-circuit voltage was only 0.02V, showing almost no negative impact from the cycling operations, and it maintained efficient output performance after multiple cycles. Therefore, the newly synthesized nickel-based anode materials, modified via co-doping methods within the ceramic phase, can be considered as potential composite anode materials for intermediate-temperature solid oxide fuel cells.

Tuning Superconductivity in Nanosecond Laser‐Annealed Boron‐Doped Si1–xGex Epilayers

Superconductivity in ultradoped Si1−xGex:B epilayers is demonstrated by nanosecond laser doping, which allows introducing substitutional B concentrations well above the solubility limit and up to 7 at%. A Ge fraction x ranging from 0 to 0.21 is incorporated in Si:B: 1) through a precursor gas, by gas immersion laser doping; 2) by ion implantation, followed by nanosecond laser annealing; and 3) by ultrahigh‐vacuum‐chemical vapor deposition growth of a thin Ge layer, followed by nanosecond laser annealing. The 30 and 75 nm‐thick Si1−xGex:B epilayers display superconducting critical temperatures Tc tuned by B and Ge between 0 and 0.6 K. Within Bardeen Cooper Schrieffer (BCS) weak‐coupling theory, Tc evolves exponentially with both the density of states and the electron–phonon potential. While B doping affects both, through the increase of the carrier density and the tensile strain, Ge incorporation allows addressing independently the lattice deformation influence on superconductivity. To estimate the lattice parameter modulation with B and Ge, Vegard's law is validated for the ternary SiGeB bulk alloy by density functional theory calculations. Its validity is furthermore confirmed experimentally by X‐ray diffraction. A global linear dependence of Tc versus lattice parameter, common for both Si:B and Si1−xGex:B, with δTc/Tc ≈ 50% for δa/a ≈1%, is highlighted.

Performance evaluation of polycrystalline Si1−xGex thin-film transistors fabricated by continuous-wave laser lateral crystallization on glass substrates

This study was aimed at elucidating the performance of continuous-wave laser lateral-crystallized (CLC) polycrystalline Si1−xGex (poly-Si1−xGex) thin-film transistors (TFTs). The transfer characteristics of the n-ch CLC poly-Si1−xGex TFTs (x = 0, 0.05, 0.1, and 0.3) exhibited a positive shift in the threshold voltage (Vth) with increasing Ge content. Furthermore, the off-current in the p-ch CLC poly-Si0.9Ge0.1 TFTs decreased with decreasing film thickness. These properties of the CLC poly-Si1−xGex TFTs can be attributed to the generation of acceptors and increment of gate SiO2/poly-Si1−xGex interface charge state with increasing Ge content. The generation of acceptors was also supported by Hall effect measurements. In addition, the thermal stability of acceptors up to 700 °C was elucidated through Hall effect measurements and TFT performance evaluations. Furthermore, we examined the origins of these acceptors. This experiment highlighted the sensitivity of Si1−xGex to Ge incorporation, even in small amounts.

Effect of Ge Incorporation on Lead‐free Cs‐based Triiodide Sn−Ge Co‐alloy Perovskite Thin Films by Spin Coating

AbstractA new Sn−Ge co‐alloy perovskite that does not contain toxic Pb is attracting attention due to its excellent predicted optoelectronic properties. However, most current research only focuses on compositions with Ge content up to 50 %, resulting in a limited overall understanding on this material system. In this study, CsSn1–xGexI3 (0≤x≤1) perovskite thin films were fabricated using spin coating method and characterized in terms of crystallographic, morphological and optical characteristics systematically. The results show that the Ge incorporation causes lattice shrinkage and a change in the crystallographic phase from orthorhombic to trigonal. Additionally, the coverage varies much as Ge increases. The Ge incorporation also results in a blueshift of the photoluminescence peak and a decrease in luminescence intensity as compared to the composition with lower Ge content. Moreover, the carrier dynamics measurement shows that the Ge incorporation increases the carrier nonradiative recombination. This work provides important hints for the development of the Sn−Ge alloy‐based perovskite solar cell.

Unveiling the Role of Ge in CZTSSe Solar Cells by Advanced Micro-To-Atom Scale Characterizations.

Kesterite is an earth-abundant energy material with high predicted power conversion efficiency, making it a sustainable and promising option for photovoltaics. However, a large open circuit voltage Voc deficit due to non-radiative recombination at intrinsic defects remains a major hurdle, limiting device performance. Incorporating Ge into the kesterite structure emerges as an effective approach for enhancing performance by manipulating defects and morphology. Herein, how different amounts of Ge affect the kesterite growth pathways through the combination of advanced microscopy characterization techniques are systematically investigated. The results demonstrate the significance of incorporating Ge during the selenization process of the CZTSSe thin film. At high temperature, the Ge incorporation effectively delays the selenization process due to the formation of a ZnSe layer on top of the metal alloys through decomposition of the Cu-Zn alloy and formation of Cu-Sn alloy, subsequently forming of Cu-Sn-Se phase. Such an effect is compounded by more Ge incorporation that further postpones kesterite formation. Furthermore, introducing Ge mitigates detrimental "horizontal" grain boundaries by increasing the grain size on upper layer. The Ge incorporation strategy discussed in this study holds great promise for improving device performance and grain quality in CZTSSe and other polycrystalline chalcogenide solar cells.

Thin and locally dislocation-free SiGe virtual substrate fabrication by lateral selective growth

Locally dislocation-free SiGe-on-insulator (SGOI) is fabricated by CVD. Lateral selective SiGe growth of ∼30%, ∼45% and ∼55% of Ge content is performed around ∼1 μm square Si(001) pillar located under the center of a 6.3 μm square SiO2 on Si-on-insulator substrate which is formed by H2-HCl vapor-phase etching. In the deposited SiGe layer, tensile strain is observed by top-view. The degree of strain is slightly increased at the corner of the SiGe. The tensile strain is caused by the partial compressive strain of SiGe in lateral direction and thermal expansion difference between Si and SiGe. Slightly higher Ge incorporation is observed in higher tensile strain region. At the peaks formed between the facets of growth front, Ge incorporation is reduced. These phenomena are pronounced for SiGe with higher Ge contents. Locally dislocation-free SGOI, which is beneficial for emerging device integration, is formed along 〈010〉 from the Si pillar by lateral aspect-ratio-trapping.

Trace elements and growth patterns in quartz from the Alubaogeshan granite in the Maodeng Mo-Bi-Sn-Cu deposit, southern Great Xing’an Range, NE China

The Maodeng Mo-Bi-Sn-Cu deposit is located in the southern segment of the Great Xing’an Range in northeastern China. The Alubaogeshan complex is the major intrusion in this region, which is composed of porphyritic monzogranite (PMG), granite porphyry (GP), and alkali feldspar granite (AFG). We conducted SEM-CL and LA-ICP-MS analyses to examine internal textures and trace elements of quartz from three facies, aiming to uncover the petrogenetic connections among the different lithologies. Quartz phenocrysts from PMG and GP exhibit smudged pre-resorption core, and post-resorption quartz overgrowths with higher Ti concentration and CL intensity, whereas quartz from AFG shows a taxitic structure, with an outward decrease in Ti concentration and CL intensity. There is a positive correlation between CL intensity and Ti content in magmatic quartz. The Al/Ti and Ge/Ti ratios in quartz indicate that the degrees of differentiation of PMG and GP are comparable and relatively low, while that of AFG is high. Trace element contents also exhibit characteristic evolution during magmatic differentiation, with the higher Al, Be, Ge, Rb, and B, and the lower Ti contents in quartz from the highly evolved AFG, and the higher Ti values in quartz from the less evolved PMG. A strong correlation between Al and Li concentrations suggests that Li+ is a primary charge compensator of Al3+ substituting for Si4+ in quartz, with the remaining Al3+ equilibrating with H+. The entry of Al into quartz is mainly controlled by crystallization temperature in the less evolved granite, but magmatic differentiation exerts a key role in the highly evolved granite. Magma differentiation is a primary factor influencing Ge incorporation into quartz. Quartz crystals from PMG and GP display textural and chemical evidence of high-Ti, -CL, and -temperature overgrowth, indicating multiple recharges of mafic magma into the felsic magma chamber. This process could have supplied abundant metals to the granitic magma system and contributed to the formation of the Maodeng deposit.

Influence of Ge to the formation of defects in epitaxial Mg2Sn1−x Ge x thermoelectric thin films

Defect formation in epitaxial Mg2Sn1–x Ge x thermoelectric (TE) thin films grown via MBE was studied. We examined the defect formations and structures using cross-sectional transmission electron microscopy and positron annihilation spectroscopy. The defect formation tends to be influenced by Ge incorporation into the Mg2Sn matrix phase of epitaxial thin films. Mg vacancies (V Mg) were identified as point defects, primarily concentrated in the film’s mid-layer. In films with higher Ge composition, stacking faults were observed. The concentration of vacancy-type point defects decreased as the Ge concentration increased. This implies that the vacancy atoms, which would have otherwise been created by increasing chemical pressure due to the higher Ge content, might have played a role in the formation of stacking faults. The high concentration of vacancy-type defects resulted in the lowest thermal conductivity, demonstrating their significance as effective phonon scattering centers in epitaxial TE films.

Atomic-scale investigation of γ-Ga2O3 deposited on MgAl2O4 and its relationship with β-Ga2O3

Nominally phase-pure γ-Ga2O3 was deposited on (100) MgAl2O4 within a narrow temperature window centered at ∼470 °C using metal-organic chemical vapor deposition. The film deposited at 440 °C exhibited either poor crystallization or an amorphous structure; the film grown at 500 °C contained both β-Ga2O3 and γ-Ga2O3. A nominally phase-pure β-Ga2O3 film was obtained at 530 °C. Atomic-resolution scanning transmission electron microscopy (STEM) investigations of the γ-Ga2O3 film grown at 470 °C revealed a high density of antiphase boundaries. A planar defect model developed for γ-Al2O3 was extended to explain the stacking sequences of the Ga sublattice observed in the STEM images of γ-Ga2O3. The presence of the 180° rotational domains and 90° rotational domains of β-Ga2O3 inclusions within the γ-Ga2O3 matrix is discussed within the context of a comprehensive investigation of the epitaxial relationship between those two phases in the as-grown film at 470 °C and the same film annealed at 600 °C. The results led to the hypotheses that (i) incorporation of certain dopants, including Si, Ge, Sn, Mg, Al, and Sc, into β-Ga2O3 locally stabilizes the “γ-phase” and (ii) the site preference(s) for these dopants promotes the formation of “γ-phase” and/or γ-Ga2O3 solid solutions. However, in the absence of such dopants, pure γ-Ga2O3 remains the least stable Ga2O3 polymorph, as indicated by its very narrow growth window, lower growth temperatures relative to other Ga2O3 polymorphs, and the largest calculated difference in Helmholtz free energy per formula unit between γ-Ga2O3 and β-Ga2O3 than all other polymorphs.

Improving the performance of kesterite solar cells by solution germanium alloying.

Cation substitution is an effective strategy to regulate the defects/electronic properties of kesterite Cu2ZnSn(S,Se)4 (CZTSSe) absorbers and improve the device photovoltaic performance. Here, we report Ge alloying kesterite Cu2Zn(Sn,Ge)(S,Se)4 (CZTGSSe) via a solution approach. The results demonstrate that the same chemical reaction of Ge4+ to Sn4+ ensures homogeneous Ge incorporation in the whole range of concentrations (from 0 to unit). Ge alloying promotes grain growth and linearly enlarges the absorber band gap by solely raising the conduction band minimum, which maintains a "spike" conduction band offset at the heterojunction interface until 15% alloying concentration and thus facilitates effective charge carrier collection. A promising efficiency of 11.57% has been achieved at 15% Ge alloying concentration with a significant enhancement in open-circuit voltage and fill factor. By further 10% Ag alloying to improve the absorber film morphology, a champion device with an efficiency of 12.25% has been achieved without an antireflective coating. This result emphasizes the feasibility of achieving homogeneous and controllable Ge alloying of kesterite semiconductors through the solution method, paving the way for further improvement and optimization of device performance.

Improved CZTSe solar cell efficiency via silver and germanium alloying

In this study, we report systematic investigation of the effects of Ag and Ge alloying on properties of CZTSe layers, as well as, on the performance of solar cells fabricated using these films. In this context, Ag-Ge doped CZTSe layers were produced by selenization of Cu/Sn/Zn/Cu/(Ag,Ge)/Se precursor stack structures using rapid thermal processing. All precursor stacks and the Ag-Ge doped CZTSe films obtained after selenization exhibited (Cu + Ag)-poor and Zn-rich chemical composition. XRD studies demonstrated pure kesterite phase for all reacted films. Raman spectra confirmed this finding. Cross-sectional SEMs showed large grain structure, which resulted from Ag-Se and Ge-Se liquid phase formation that assisted crystal growth during high temperature annealing. While a slight Ag-front-gradient was achieved in Ag-doped CZTSe film, the Ag gradient disappeared with incorporation of Ge into the lattice. Addition of Ge formed a gradient within the material such that near-contact region was more Ge-rich. Solar cells fabricated using films with various compositions demonstrated that double doping CZTSe with both Ag and Ge improved the device efficiency from about 5 % to over 8 %.

Effect of Ge doping on the material properties of sprayed Cu2SnS3 thin films

A facile spray pyrolysis processing of ternary Cu2SnS3 and Cu2Sn1−xGexS3 absorbers is presented. The Cu2SnS3 and Cu2Sn1−xGexS3 thin films were sprayed onto both glass and Mo substrates at 350 °C and then annealed at 550 °C with S and SnS/GeS crystals. The impacts of germanium incorporation on the properties and solar cell device performance of the Cu2SnS3 layers were studied. X-ray diffraction and Raman measurements confirmed the monoclinic crystal structure of both Cu2SnS3 and Cu2Sn1−xGexS3 layers, with a slight peak shift observed in the Cu2Sn1−xGexS3 samples due to the substitutional incorporation of Ge into the Sn site in the Cu2SnS3 lattice. The introduction of Ge also increased the optical bandgap from 0.93 eV for Cu2SnS3 to 0.99 eV for Cu2Sn1−xGexS3 samples. Furthermore, Cu2Sn1−xGexS3 layers exhibited enhanced grain growth, leading to an improved device performance from 1% for Cu2SnS3 to 2.1% for Cu2Sn1−xGexS3 solar cells.

Germanium Enrichment Mechanism: An Example from the Maoping Carbonate-Hosted Zn-Pb-(Ge) Deposit, SW China

Abstract Germanium (Ge), as a critical metal, is in high demand due to its growing usage in emerging industries and green technologies. The Sichuan-Yunnan-Guizhou Zn-Pb metallogenic region, located on the southwestern margin of the Yangtze block, is one of the most important producers of Ge in China. The Maoping Zn-Pb deposit in the Sichuan-Yunnan-Guizhou region contains Ge-bearing sphalerite, whose crystal chemistry and process of Ge incorporation are poorly resolved. Sphalerite occurring in two hydrothermal stages (Sp-II and Sp-III) is recognized in this deposit. Laser ablation inductively coupled plasma mass spectrometry was used to map the concentrations of key elements (including Mn, Fe, Cu, Ga, Ge, As, Ag, Cd, In, Sn, Sb, Hg, and Pb) in Sp-II and Sp-III, and their distributions were qualitatively compared, followed by a quantitative assessment through application of the structural similarity index. The results suggest that Ge positively correlates with Cu in Sp-II, but with Ag in Sp-III, differences that may be related to the temperature of formation. The metamorphic basement is the main source of Ge in the Maoping deposit. Additionally, coal seams in this deposit could potentially be important contributors to Ge enrichment. A model for Ge mineralization was proposed in which the mixing of the Ge-bearing metamorphic fluids with the Ge-bearing basin brines precipitated sphalerite, and the Ge was incorporated into Sp-II and Sp-III via 2Cu+ + Ge4+ ↔ 3Zn2+ and 2Ag+ + Ge4+ ↔ 3Zn2+, respectively, under medium sulfur fugacity and low oxygen fugacity conditions.

Multiple Valence Bands Convergence and Localized Lattice Engineering Lead to Superhigh Thermoelectric Figure of Merit in MnTe.

MnTe has been considered a promising candidate for lead-free mid-temperature range thermoelectric clean energy conversions. However, the widespread use of this technology is constrained by the relatively low-cost performance of materials. Developing environmentally friendly thermoelectrics with high performance and earth-abundant elements is thus an urgent task. MnTe is a candidate, yet a peak ZT of 1.4 achieved so far is less satisfactory. Here, a remarkably high ZT of 1.6 at 873 K in MnTe system is realized by facilitating multiple valence band convergence and localized lattice engineering. It is demonstrated that SbGe incorporation promotes the convergence of multiple electronic valence bands in MnTe. Simultaneously, the carrier concentration can be optimized by SbGeS alloying, which significantly enhances the power factor. Simultaneously, MnS nanorods combined with dislocations and lattice distortions lead to strong phonon scattering, resulting in a markedly low lattice thermal conductivity(κlat ) of 0.54Wm K-1 , quite close to the amorphous limit. As a consequence, extraordinary thermoelectric performance is achieved by decoupling electron and phonon transport. The vast increase in ZT promotes MnTe as an emerging Pb-free thermoelectric compound for a wide range of applications in waste heat recovery and power generation.

THEORETICALLY PREDICTED DEVIATION IN PHYSICAL PROPERTIES OF GE-BI-S CHALCOGENIDE ALLOYS WITH COMPOSITIONAL VARIATIONS

Chalcogenide glasses (ChGs) semiconductors have several useful properties, especially in their technical applications. The present work explains the compositional dependence of many physical properties of GexBi5S95-x (x = 0, 10, 20, 30, 35 and 45 at. %). Increasing Ge content reduces the fraction of floppy modes, the lone pair electrons, the stoichiometric deviation, and the heat of atomization, while the average coordination number 〈r〉, constraints, density, and molar volume increased, indicating the alloys have moved from floppy to rigid mode. The average overall bond energy, electronegativity difference, band gap energy, and glass transition temperature were estimated by analyzing the bond energies and its distribution based on the bond ordered network model (CONM). It has been found that all these parameters increase with Ge ≤ 30 at. % and decrease with the further increase of Ge content. This behavior can be explained in terms of the network chemical percolation threshold proposed by Tanaka. This threshold represents a topological phase transition from a two-dimensional structure at r˂2.67 to a three-dimensional structure at r≥2.67. The incorporation of Ge into the glassy Bi-S system yields interesting physical properties such as threshold and phase transition, confirming this composition's suitability for optical storage media.

Band Modification and Localized Lattice Engineering Leads to High Thermoelectric Performance in Ge and Bi Codoped SnTe-AgBiTe2 Alloys.

SnTe, emerging as an environment-friendly alternative to conventional PbTe thermoelectrics, has drawn significant attention for clean energy conversion. Here, a high peak figure of merit (ZT) of 1.45 at 873K in Ge/Bi codoped SnTe-AgBiTe2 alloys is reported. It is demonstrated that the existence of Ge, Bi, and Ag facilitate band convergence in SnTe, resulting in remarkable enhancement of Seebeck coefficient and power factor. Simultaneously, localized lattice imperfections including dislocations, point defects, and micro/nanopore structures are caused by incorporation of Ge, Bi, and Ag, which can effectively scatter heat carrying phonons with different wavelengths and contribute to an extremely low κL of 0.61Wm-1 K-1 in Sn0.92 Ge0.04 Bi0.04 Te-10%AgBiTe2 . Such high peak ZT is achieved by decouples electron and phonon transport through band modification and localized lattice engineering, highlighting promising solutions for advancing thermoelectrics.