SearcharxivSearch

arXiv · 2410.12314

Structural and Thermoelectric Properties of Al$_{1+x}$Fe$_{2-y}$M$_y$B$_2$ (M=Ag, Ni, Sb, Ga, and Ge) Intermetallic Borides

Abstract

AlFe$_2$B$_2$, a ternary transition metal boride doped with Ag, Ni, Sb, Ga, and Ge was investigated for the phase constituents, microstructure, and thermoelectric properties. The parent compound with 20\% excess Al (Al$_{1.2}$Fe$_2$B$_2$) prepared by vacuum arc melting contains orthorhombic AlFe$_2$B$_2$ and FeB upon doping form additional phases such as Ag$_5$Al, AlNi$_3$, Al$_3$Ni$_2$, AlSb, and AlB$_2$. The structural parameters of the AlFe$_2$B$_2$ phase in Ag, Ni, and Sb-doped samples are nearly the same as the un-doped one. The lattice parameters and cell volume increase noticeably in Ga and Ge-doped compounds. The Ga-doped sample shows only FeB as a secondary phase; however, the AlB$_2$ phase is observed in Ge-doped AlFe$_2$B$_2$. The microstructure investigated in FEG-SEM with EDS shows the AlFe$_2$B$_2$ matrix is chemically homogenous in all samples, except the Ga-doped one, with uniformly distributed single or multiple secondary phases. The DSC-TG results show that all the dopants decrease the AlFe$_2$B$_2$ phase peritectic decomposition reaction temperature, indicating the structure destabilizes. The thermoelectric properties measured show that AlFe$_2$B$_2$ is an n-type compound with electrical conductivity in the range of 0.35-0.46$\times$10$^6$ S/m. The addition of Ag, Ni, Ga, and Ge marginally alters the Seebeck and electrical conductivity. The noticeable improvement in Seebeck coefficient and with negligible change in electrical conductivity resulted in a highest power factor of 0.4 mW/mK$^2$ for Sb-doped sample. The thermal conductivity of AlFe$_2$B$_2$, which is in the range of 6.4-9.1 W/m-K between 300 to 773\,K, decreases with Sb doping to 5.2-8.5 W/m-K resulting in a maximum zT of 0.04 at 773K.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

D. Sivaprahasam, R. Preyadarshini, Ashutosh Kumar. 2024-10-16. Structural and Thermoelectric Properties of Al$_{1+x}$Fe$_{2-y}$M$_y$B$_2$ (M=Ag, Ni, Sb, Ga, and Ge) Intermetallic Borides. https://doi.org/10.1007/s00339-025-08440-y

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

Measuring chiral phonons

Chiral phonons are quantized vibrations where the atomic motion in a solid breaks improper rotation symmetries. In many cases, chiral phonons possess angular momenta and are therefore selective to circularly polarized light. Both fundamental and applied research efforts on chiral phonons have been gaining increasing attention owing to their importance in a variety of fields including spintronics, spin-selective chemical reactions, thermal transport, quantum information processing and biosensing, where the bi-directional spin-lattice coupling enabled by chiral phonons can be harnessed in new ways, and potentially lead to new functionalities. Thus far, the studies of chiral phonons across diverse materials platforms have evolved largely independently within these fields, but the experimental techniques are often interrelated. In this perspective, we present a detailed description, as well as advantages and disadvantages of the current approaches for experimentally measuring chiral phonons in chiral and achiral materials. We conclude with a discussion of new methods for measuring chiral phonons. Ultimately, this work seeks to offer an experimental guide for systematically investigating the properties of chiral phonons in various materials systems and applications.

cond-mat.mtrl-sci

A model of grain growth in UN integrating molecular dynamics, phase-field modeling, and uncertainty quantification

Grain growth kinetics and grain-boundary (GB) properties in uranium mononitride (UN) are investigated through an integrated multiscale framework combining molecular dynamics (MD), phase-field modeling, and surrogate-assisted uncertainty quantification. MD simulations yield GB energies for 27 symmetric tilt boundaries from 0--2000~K, which are consistent with available DFT values. The average GB energy is nearly temperature-independent below 1000~K and increases at higher temperatures. A mechanistic pore-drag model applied to the only available grain growth dataset for actinide nitrides yields a mobility reduction factor of $s \approx 0.93$--$0.99$, statistically indistinguishable from unity, confirming that pore drag is negligible under the experimental conditions. The intrinsic GB mobility is therefore extracted directly from the effective mobility, yielding $M_0 = 2.05\times10^{-15}$~m$^4$/(J$\cdot$s) and $Q_M = 0.89$~eV. Phase-field simulations conducted from 1500--2000~K confirm normal curvature-driven grain growth, with grain size distributions converging to the Hillert-like form. A surrogate-assisted global sensitivity analysis---combining principal component analysis, Gaussian process regression, and Sobol decomposition---reveals that the mobility prefactor $M_0$ dominates output variance at all times, followed by the activation energy $Q_M$, while the GB energy $\gamma$ contributes minimally. These results establish the first quantitative grain growth framework for UN and identify the reduction of uncertainty in $M_0$ and $Q_M$ as the highest-priority target for future experimental efforts.

cond-mat.mtrl-sci

Silicon Solar Cell Design for >30% Efficiency via Singlet Fission

Singlet fission (SF) materials convert high-energy photons into multiple charge carriers, providing a route to exceed the efficiency limits of single-junction silicon solar cells without many of the complexities of multi-junction tandem designs. Following the first demonstration of an SF-enhanced silicon solar cell in 2025, there is a need to understand how SF materials can be effectively integrated into high-efficiency industrial silicon devices and translated from proof of concept to a manufacturable technology. Using coupled optical and electrical simulations, we assess the efficiency potential of several industrially relevant silicon cell architectures combined with SF materials. Interdigitated back-contact (IBC) cells offer the greatest potential for improvement due to unrestricted front-surface access and can achieve efficiencies exceeding 33%. However, performance is highly sensitive to front-surface passivation quality. Appropriate silicon design, particularly controlled surface doping and fixed interfacial charge, can mitigate recombination losses and relax passivation requirements for ultra-thin exciton-transfer layers.

cond-mat.mtrl-sci