arXiv subjects

Aftab Alam

Publications and source records attributed to Aftab Alam.

At least 19 recordsLinked to original sources

arXiv2026

A Unified Theory of Collective Magnon and Orbiton Excitations in Altermagnets

Altermagnetism has recently emerged as a distinct collinear magnetic phase exhibiting momentum-dependent spin-splitting despite vanishing net magnetization, as a consequence of inequivalent non-magnetic environments. Lately, it has been proposed that strong electronic correlations may yield spontaneous altermagnetism due to orbital ordering even for equivalent non-magnetic environments. While previous studies have largely focused on the electronic structure, a unified understanding of the collective excitations associated with these two different microscopic mechanisms stabilizing altermagnetism remains absent. Here, we develop an extended Kugel'-Khomski\u{i} spin-orbital model on a decorated square lattice that simultaneously incorporates inequivalent non-magnetic environments and correlation-driven orbital ordering within a common theoretical framework. Employing a self-consistent mean-field spin-wave orbital-wave formalism, we demonstrate the emergence of mutually unhybridized but interdependent magnon and orbiton excitations exhibiting characteristic chiral-splitting. We show that the splitting originates from two distinct microscopic contributions: a lattice-dependent term arising from inequivalent non-magnetic environments and an orbital-order-induced exchange-anisotropy term that survives even for equivalent non-magnetic environments. The proposed framework therefore unifies the collective excitations associated with both types of altermagnetism. We further investigate the finite-temperature evolution of the coupled spin-orbital system, revealing the breakdown of spin-wave and orbital-wave approximations through spurious 1st-order transitions, while complementary classical Monte Carlo simulations recover the expected continuous 2nd-order behaviour. Our work establishes a unified microscopic framework for understanding collective magnon and orbiton excitations in altermagnets.

cond-mat.str-el↗

arXiv2026

Dimensional Confinement Driven Scattering Inversion in NaCrTe$_2$

Dimensionality reduction provides a powerful route to tune the electronic and magnetic properties of van der Waals materials, yet its influence on electronic transport remains complex due to competing effects from quantum confinement and modified scattering mechanisms. Here, we investigate this interplay in an antiferromagnetic semiconductor $\text{NaCrTe}_2$ using first-principles calculations combined with the Boltzmann transport equation beyond the constant relaxation time approximation. Our results show that the monolayer limit induces a coupled magnetostructural reconstruction, reducing the band gap from $0.44$ eV (bulk) to $0.15$ eV (monolayer) and significantly enhancing the static dielectric constant. This evolution triggers a fundamental scattering inversion: whereas bulk transport is limited by polar optical phonon (POP) scattering, the monolayer becomes dominated by acoustic deformation potential (ADP) scattering. We show that this crossover originates from the simultaneous suppression of the Fr\"ohlich interaction through enhanced dielectric screening and the amplification of acoustic scattering due to pronounced lattice softening. These results clarify how the interplay between dielectric screening, lattice stiffness, and band topology governs transport in low-dimensional magnetic semiconductors, providing a framework to optimize their electronic performance.

cond-mat.mtrl-sci↗

arXiv2026

Topological Weyl Phase of an Ideal Spin-Gapless Semiconductor KCrSe

The coexistence of topological and spin-polarized electronic states within a single material platform provides an attractive route toward emergent quantum phenomena and spintronic functionalities. However, materials simultaneously exhibiting spin-gapless semiconducting (SGS) behavior and Weyl semimetallicity remain exceedingly rare. Here, using first-principles calculations, we identify the half-Heusler compound KCrSe as an ideal spin-gapless Weyl semimetal. Transport calculations reveal a weak temperature dependence of the longitudinal conductivity and relatively small Seebeck coefficients, providing further evidence of its SGS nature. KCrSe hosts a single pair of Weyl nodes-the minimum number permitted in a Weyl semimetal-located in close proximity to the Fermi level (E$_\text{F}$), resulting in exceptionally clean bulk and surface electronic spectra. The nontrivial Berry curvature associated with these Weyl nodes gives rise to sizable anomalous transport responses, including an anomalous Hall conductivity of $\sigma_{xy}^{A}\sim 90.76~\mathrm{S\,cm^{-1}}$ and an anomalous Nernst conductivity of $\alpha_{xy}^{A}\sim 0.15~\mathrm{A\,m^{-1}K^{-1}}$ at E$_\text{F}$, with substantially enhanced values at lower energies. The combination of an ideal Weyl topology, fully spin-polarized low-energy states, and finite anomalous transport establishes KCrSe as a promising platform for designing high-efficiency topological spintronic devices.

cond-mat.mtrl-sci↗

arXiv2026

Topological Surface States and Anisotropic Magnetotransport in SnSb$_6$Te$_{10}$

We have investigated the electronic structure and magnetotransport properties of SnSb$_6$Te$_{10}$ single crystals using density functional theory (DFT), synchrotron-based angle-resolved photoemission spectroscopy (ARPES), and quantum transport measurements. Our DFT calculations reveal a clear spin-orbit coupling driven band inversion between the Sb-$p$ and Te-$p$ states together with a non-trivial $\mathbb{Z}_2$ topological invariant. The calculated surface-state dispersion and hexagonally warped Fermi surface contours agree well with the ARPES measurements. Temperature-dependent transport measurements indicate dominant electron-phonon scattering, while Hall measurements confirm hole-type carriers with carrier density of the order of $10^{21}$ cm$^{-3}$. Both transverse and longitudinal magnetotransport exhibit weak antilocalization behavior, while Shubnikov-de Haas oscillations observed for $H \parallel c$ yield a Berry phase close to $\pi$, consistent with Dirac-like surface states. Furthermore, angle-dependent magnetotransport measurements reveal pronounced anisotropy associated with an anisotropic Fermi surface topology and mixed bulk-surface transport behavior. Our combined theoretical and experimental results establish SnSb$_6$Te$_{10}$ as a strong topological insulator and a promising platform for investigating topological transport phenomena in layered telluride systems.

cond-mat.mtrl-sci↗

arXiv2026

Harnessing Linear and Nonlinear Optical Responses in Ferroelectric LaMoN$_3$ for Enhanced Photovoltaic Efficiency

Nitride perovskites are an emerging class of materials predicted to exhibit diverse functional properties, yet remain underexplored due to synthesis challenges of oxygen-free nitrides. Recently, LaMoN$_3$ has been reported as an oxygen-free nitride perovskite with polar symmetry, exhibiting excellent dynamic stability and ferroelectric properties under moderate pressure. However, its phase stability, linear and non-linear optical response, excitonic and polaronic behavior, and efficiency under high pressure remain unexplored. Applying pressure enables systematic tuning of the electronic structure properties, thereby facilitating the identification of phases optimized for either linear or nonlinear optical responses. Therefore, in this work, we systematically investigate these properties of LaMoN$_3$ up to 40 GPa using first-principles methods, including density functional theory, density functional perturbation theory, many-body perturbation theory (namely G$_0$W$_0$ and BSE), and tight binding approximation model. Our study shows that LaMoN$_3$ remains dynamically stable and retains its single-phase structure up to 40 GPa. The compound exhibits an indirect bandgap that decreases from 2.17 eV (0 GPa) to 1.45 eV (40 GPa) at the G$_0$W$_0$@PBE level. Using the BSE, we find that pressure enhances the SLME while lowering the exciton binding energy, both favorable for photovoltaic applications. The bulk photovoltaic efficiency trend with pressure mimics the behavior of the shift current density J$_SC$ , peaking near 15 GPa before declining at higher pressures due to a diminished nonlinear shift current response. These results highlight pressure-tuned regimes to enhance photovoltaic performance. We thereby propose multi-junction device, combining absorber layers optimized for linear and nonlinear optical currents, together boosting solar energy conversion through complementary mechanisms.

cond-mat.mtrl-sci↗

arXiv2026

Hybrid Improper Ferroelectricity and Moir\'e Superlattices-induced Exciton Quantization in Layered 2D Halide Perovskite

2D Ruddlesden-Popper perovskites are compelling platforms for quantum-confined optoelectronics. However, polar order in iodide composition remains rare under ambient conditions, and the mechanistic origin of anomalous photoluminescence in this class of perovskite is still speculative. Here, we demonstrate that solution-grown $(PA)_2FAPb_2I_7$ single crystals develop an inadvertent moir\'e superlattice through pseudo-merohedral twinning, driven by hybrid improper ferroelectricity in which trilinear mode coupling between two primary zone-boundary modes ($X_2^+$ and $X_3^-$) and a secondary $\Gamma_4^-$ polar displacement simultaneously breaks inversion symmetry and imposes a ca. 5.17{\deg} rotational misalignment between adjacent layers. This symmetry breaking activates one of the highest piezoelectric coefficients $d_{33}$ (ca. 20 pm/V) reported among 2D perovskites. This misalignment generates a moir\'e superlattice that undergoes a thermally driven commensurate-incommensurate transition, switching between a periodic confinement potential that quantizes excitons into an equidistant photoluminescence ladder at 123 K and a disordered incommensurate phase with broadened emission at 298 K. These emissions are attributed to moir\'e-confined excitons, resolving a longstanding debate on anomalous secondary photoluminescence in layered 2D perovskites and opening pathways to twistronics, photoferroelectrics and piezo-optoelectronic devices.

cond-mat.mtrl-sci↗

arXiv2026

Lead-free antiperovskite derivatives Ba$_3$MA$_3$ (M = P, As, Sb, Bi; A = Cl, Br, I): Next-gen materials for optoelectronics

Antiperovskite derivatives have recently emerged as promising lead-free alternatives to halide perovskites for optoelectronic applications. Here, using a comprehensive first-principles calculations including density functional perturbation theory and many-body perturbation theory (involving GW and Bethe-Salpeter equation (BSE)), we investigate the stability, excitonic, polaronic, and optoelectronic properties of cubic Ba$_3$MA$_3$ (M = P, As, Sb, Bi; A = Cl, Br, I). These compounds are found to be dynamically and thermodynamically stable direct-gap semiconductors with G$_0$W$_0$@PBE+SOC band gaps spanning 1.23-2.17 eV. BSE calculations reveal moderate exciton binding energies (0.254-0.352 eV) and intermediate-radius excitons, while Fr\"ohlich polaron analysis indicates intermediate carrier-phonon coupling and mobilities up to $\sim$ 75 cm$^{2}$V$^{-1}$s$^{-1}$. The resulting spectroscopic limited maximum efficiencies reach $\sim$ 19-32%, surpassing several lead-based perovskites. Our results establish Ba-based antiperovskite derivatives as a robust, eco-friendly platform for next-generation optoelectronic devices.

cond-mat.mtrl-sci↗

arXiv2025

The Fundamental Lemma of Altermagnetism: Emergence of Alterferrimagnetism

Recent years have seen a proliferation in investigations on Altermagnetism due to its exciting prospects both from an applications perspective and theoretical standpoint. Traditionally, altermagnets are distinguished from collinear antiferromagnets using the central concept of halving subgroups within the spin space group formalism. In this work, we propose the Fundamental Lemma of Altermagnetism (FLAM) deriving the exact conditions required for the existence of altermagnetic phase in a magnetic material on the basis of site-symmetry groups and halving subgroups for a given crystallographic space group. The spin group formalism further clubs ferrimagnetism with ferromagnetism since the same-spin and opposite-spin sublattices lose their meaning in the presence of multiple magnetic species. As a consequence of FLAM, we further propose a class of fully compensated ferrimagnets, termed as Alterferrimagnets (AFiMs), which can show alternating momentum-dependent spin-polarized non-relativistic electronic bands within the first Brillouin zone. We show that alterferrimagnetism is a generalization of traditional collinear altermagnetism where multiple magnetic species are allowed to coexist forming fully compensated magnetic-sublattices, each with individual up-spin and down-spin sublattices.

cond-mat.mtrl-sci↗

arXiv2025

Disorder mediated fully compensated ferrimagnetic spin-gapless semiconducting behaviour in Cr3Al Heusler alloy

Spin-gapless semiconductors (SGSs) that simultaneously host fully compensated ferrimagnetism are highly sought for energy-efficient and stray-field-free spintronic technologies, yet their realization in chemically disordered systems has remained elusive. Here, we demonstrate that the binary Heusler alloy Cr3Al despite adopting a fully A2-disordered structure exhibits a rare coexistence of SGS transport and a fully compensated ferrimagnetic (FCF) ground state. Single-crystalline and polycrystalline Cr3Al samples were synthesized, and comprehensive structural analyses using single crystal XRD, synchrotron powder XRD, and neutron powder diffraction reveal complete Cr/Al site mixing. Remarkably, this chemical disorder does not disrupt magnetic order; instead, magnetization, X-ray magnetic circular dichroism (XMCD), and temperature-dependent neutron diffraction establish a robust compensated ferrimagnetic state with a vanishingly small ordered moment of 0.1(1) muB/f.u and a high Curie temperature of 773(2) K. Electrical and thermal transport measurements uncover clear SGS characteristics, including weak temperature-dependent conductivity, very low Seebeck coefficients, and electron-hole compensated transport. Hall measurements show unusual temperature-dependent carrier concentrations consistent with disorder-modified electronic states. First-principles calculations on an A2-disordered SQS structure reproduce the experimentally observed negligibly small magnetization (0.0072 muB/f.u) and reveal a vanishing spin-up band gap unambiguously supporting SGS behavior driven by chemical disorder. Our results identify Cr3Al as the first experimentally verified A2-disordered Heusler alloy exhibiting both fully compensated ferrimagnetism and spin-gapless semiconducting transport, positioning it as a robust and disorder-tolerant platform for next-generation, high-temperature spintronic devices.

cond-mat.mtrl-sci↗

arXiv2025

Accelerated Prediction of Temperature-Dependent Lattice Thermal Conductivity via Ensembled Machine Learning Models

Lattice thermal conductivity ($\kappa_L$) is a key physical property governing heat transport in solids, with direct relevance to thermoelectrics, thermal barrier coatings, and heat management applications. However, while experimental determination of $\kappa_L$ is challenging, its theoretical calculation via ab initio methods particularly using density functional theory (DFT) is computationally intensive, often more demanding than electronic transport calculations by an order of magnitude. In this work, we present a machine learning (ML) approach to predict $\kappa_L$ with DFT-level accuracy over a wide temperature range (100-1000 K). Among various models trained on DFT-calculated data obtained from literature, the Extra Trees Regressor (ETR) yielded the best performance on log-scaled $\kappa_L$, achieving an average $R^2$ of 0.9994 and a root mean square error (RMSE) of 0.0466 $W\,m^{-1}\,K^{-1}$. The ETR model also generalized well to twelve previously unseen (randomly chosen) low and high $\kappa_L$ compounds with diverse space group symmetries, reaching an $R^2$ of 0.961 against DFT benchmarks. Notably, the model excels in predicting $\kappa_L$ for both low- and high-symmetry compounds, enabling efficient high-throughput screening. We also demonstrate this capability by screening ultralow and ultrahigh $\kappa_L$ candidates among 960 half-Heusler compounds and 60,000 ICSD compounds from the AFLOW database. This result shows reliability of model developed for screening of potential thermoelectric materials. At the end, we have tested model's prediction ability on systems that have experimental $\kappa_L$ available that shows model's ability to search material that has desirable experimental $\kappa_L$ for thermoelectric applications.

cond-mat.mtrl-sci↗

arXiv2025

Intrinsic Berry Curvature Driven Anomalous Hall and Nernst Effect in Co$_2$MnSn

Magnetic topological semimetals often exhibit unusual electronic and thermal transport due to nontrivial bulk band crossings, enabling simultaneous realization of large anomalous Hall and Nernst conductivities ($\sigma_{xy}$ and $\alpha_{xy}$). Here, a comprehensive experimental and theoretical study of the anomalous transport properties of ferromagnetic Co$_2$MnSn is reported. First-principles calculations reveal topological Weyl points producing significant Berry curvature, driving dominant intrinsic anomalous Hall/Nernst effects. Electronic and thermal transport measurements demonstrate robust anomalous transport with substantial conductivity values that persist at room temperature ($\sigma_{xy}\sim$ 500 S/cm, $\alpha_{xy}\sim$ 1.3 A/m/K). We also show how the chemical substitution (via tuning Fermi level) can boost these effects (up to $\sigma_{xy}\sim$ 1376 S/cm, $\alpha_{xy}\sim$ 1.49 A/m/K at 150 K). These findings position Co$_2$MnSn as a compelling platform for exploring topological transport phenomena and advancing next-generation thermoelectric and spintronic technologies.

cond-mat.mtrl-sci↗

arXiv2025

Spectrum of five-times ionized krypton: Kr VI

This work describes the spectral analysis of five-times ionized krypton ion (Kr VI) using a high-resolution spectrogram recorded on a 3 m normal incidence vacuum spectrograph in the wavelength 230--2075~\AA~region. For spectral excitation, a gas-puff triggered spark source was used. This work thoroughly examined all previously reported spectroscopic analyses for Kr VI. Many missing and new levels were added to the list of known energy levels with the help of several supportive transitions. The present experimental findings were theoretically supported within the pseudo-relativistic Hartree-Fock (HFR) formalism implemented in the Cowan suite of codes. A total of 52 (including eight new) energy levels were established with the help of 169 unique observed spectral lines (31 are new) assigned to 175 (6 doubly assigned) transitions. All observed and Ritz wavelengths were reported with their uncertainties, modeled intensities, and other evaluated radiative transition parameters such as transition probabilities and cancellation factors.

physics.atom-ph↗

arXiv2025

Unconventional anomalous Hall effect in hexagonal polar magnet Y_3Co_8Sn_4

We report a rare realization of unconventional anomalous Hall effect (UAHE) both below and above the magnetic transition temperature (T_C) in a hexagonal noncentrosymmetric magnet Y_3Co_8Sn_4, using a combined experimental and ab-initio calculations. Occurrence of such UAHE is mainly attributed to the reciprocal (KS) topology (i.e. the presence of topological Weyl points at/near the Fermi level), along with some contribution from the topological magnetic texture, as inferred from the measured field-dependent ac susceptibility. The effect of UAHE on the measured transport behavior however evolves differently with temperature above and below T_C, suggesting different physical mechanism responsible in the two phases. A unique planar ferrimagnetic ordering is found to be the most stable state with ab-plane as the easy plane below TC, as observed experimentally. The simulated net magnetization and the moment per Co atom agrees fairly well with the measured values. A reasonably large AHC is also observed in both the phases (above and below and T_C) of the present compound, which is again not so ubiquitous. Our results underscore the family of R_3Co_8Sn_4 (R= rare earth) polar magnets as a compelling backdrop for exploring the synergy of topological magnetism and non-trivial electronic bands, pivotal for spintronic applications.

cond-mat.mtrl-sci↗

arXiv2025

Charge Order Driven Multiferroic Behaviour in Sr$_4$Fe$_6$O$_{12}$: An $\textit{Ab-initio}$ Study

In this letter, we report the structural, electronic and ferroelectric properties of the layered mixed-valent transition-metal compound, Sr$_{4}$Fe$_{6}$O$_{12}$ (SFO). We demonstrate how SFO undergoes a phase transition from a high-temperature (T) centrosymmetric tetragonal phase ($P4_{2}/mnm$) to a low-T polar orthorhombic phase ($Pmn2_{1}$). The transition is primarily driven by charge ordering at tetrahedral Fe-layer creating Fe$^{3+}$ and Fe$^{2+}$ cations between two edge sharing tetrahedra. This charge ordering induces electronic polarization, which is remarkably larger (3.5 times) in magnitude than ionic polarization and oppositely directed, giving a net polarization of 0.05 C/m$^2$ which is comparable to the state-of-the-art rare-earth nickelets and manganite perovskites. The direction of structural distortion, governed by the polar mode irrep $\Gamma_{5}^{-}$, depends sensitively on the type of magnetic ordering in the Fe-octahedral layer. Consequently, both the ionic and electronic polarization directions are influenced by magnetic ordering, suggesting the potential for multiferroic behavior with strong magneto-electric coupling in this material.

cond-mat.str-el↗

arXiv2024

Giant Topological Hall Effect in Magnetic Weyl Metal Mn$_{2}$Pd$_{0.5}$Ir$_{0.5}$Sn

The synergy between real and reciprocal space topology is anticipated to yield a diverse array of topological properties in quantum materials. We address this pursuit by achieving topologically safeguarded magnetic order in novel Weyl metallic Heusler alloy, Mn$_{2}$Pd$_{0.5}$Ir$_{0.5}$Sn. The system possesses non-centrosymmetric D$_{2d}$ crystal symmetry with notable spin-orbit coupling effects. Our first principles calculations confirm the topological non-trivial nature of band structure, including 42 pairs of Weyl nodes at/near the Fermi level, offering deeper insights into the observed anomalous Hall effect mediated by intrinsic Berry curvature. A unique canted magnetic ordering facilitates such rich topological features, manifesting through an exceptionally large topological Hall effect at low fields. The latter is sustained even at room temperature and compared with other known topological magnetic materials. Detailed micromagnetic simulations demonstrate the possible existence of an antiskyrmion lattice. Our results underscore the $D_{2d}$ Heusler magnets as a possible platform to explore the intricate interplay of non-trivial topology across real and reciprocal spaces to leverage a plethora of emergent properties for spintronic applications.

cond-mat.mtrl-sci↗

arXiv2024

A modified proximal contraction principle with applications to variational inequality problems

In this paper, we introduce the notions of proximally completeness, proximally closedness and proximally continuity and utilize the same to prove a result on existence and uniqueness of best proximity points in the setting of metric space (not necessarily complete). Our newly proved result enriches, sharpens, improves and modifies the proximal contraction principle of Basha [J. Optim. Theory Appl. 2011:151 (2011), 210-216]. In order to illustrate the effectiveness of our finding, we discuss the sufficient conditions ensuring the existence of a unique solution of certain variational inequality problem.

math.FA↗

arXiv2024

Efficient Electrochemical CO2 Reduction Reaction over Cu-decorated Biphenylene

Developing efficient electrocatalysts for CO$_2$ reduction into value-added products is crucial for the green economy. Inspired by the recent synthesis of Biphenylene (BPH), we have systematically investigated pristine, defective, and Cu-decorated BPH as an electrocatalyst for the CO$_2$ reduction reactions (CRR). Our first-principles calculations show the CO$_2$ molecules weakly interact with the pristine BPH surface while defective BPH facilitates the CO$_2$ adsorption with a binding energy ($E_b$) of -3.22 eV, indicating the detrimental process for the CRR on the surface of both systems. Furthermore, we have investigated the binding energy and kinetic stability of Cu-decorated BPH as a single-atom-catalyst (SAC). The molecular dynamics simulations confirm the kinetic stability, revealing that the Cu-atom avoids agglomeration under low metal dispersal conditions. The CO$_2$ molecule gets adsorbed horizontally on the Cu-BPH surface with $E_b$ of -0.52 eV. The CRR mechanism is investigated using two pathways beginning with two different initial intermediate states, formate ($\mathrm{^*OCOH}$) and the carboxylic ($\mathrm{^*COOH}$) pathways. The formate pathway confirms the conversion of $\mathrm{^*OCOH}$ to $\mathrm{^*HCOOH}$ with the rate-limiting potential ($U_L$) of 0.57 eV for the production of HCOOH, while for the carboxylic pathway, the conversion of $\mathrm{^*COH}$ to $\mathrm{^*CHOH}$ has $U_L$ of 0.49 eV for the production of CH$_3$OH. We have also investigated the effect of protons using charged hydrogen pseudopotential, which hints towards the possible formation of CH$_3$OH as fuel. Our findings propose Cu-BPH as an efficient single-atom catalyst for CO$_2$ conversion compared to the well-known Cu metal.

cond-mat.mtrl-sci↗

arXiv2024

Cu$_2$ZnSiTe$_4$: A potential thermoelectric material with promising electronic transport

Transition metal-based quaternary chalcogenides have gathered immense attention for various renewable energy applications including thermoelectrics (TE). While low-symmetry and complex structure help to achieve low thermal conductivity, the TE power factor and hence the figure of merit (ZT) remains low which hinders to promote these class of materials for future TE applications. Here, we investigated the TE properties of a new system, Cu$_2$ZnSiTe$_4$, with improved electronic transport using first-principles calculation. The presence of heavy chalcogen like Te, helps to achieve a relatively low bandgap (0.58 eV). This, together with unique electronic band topology, leads to a promising value of power-factor of 3.95(n-type) and 3.06(p-type) mWm$^{-1}$K$^{-2}$ at 900 K. Te atoms also play a crucial role in mixing the optical and acoustic phonon branches which, in turn, are responsible for reduced lattice thermal conductivity ($\sim$0.7 Wm$^{-1}$K$^{-1}$ at high temperature). Though the thermal conductivity is not appreciably low, the electronic transport properties (power factor) are quite favorable to yield promising TE figure of merit (ZT $\sim$2.67 (n-type) and $\sim$2.11 (p-type) at 900 K). We propose Cu$_2$ZnSiTe$_4$ to be a potential candidate for TE applications, and believe to attract future experimental/theoretical studies.

cond-mat.mtrl-sci↗