Key Role of Charge Disproportionation in Monoclinic Semiconducting Fe2PO5, a Room-Temperature d-Wave Altermagnet Candidateβ-Fe2PO5 is an emerging room-temperature d-wave altermagnet featuring quasi-one-dimensional crystal and magnetic structures, orthogonal transport channels for opposite spins, and large band…Zhen Zhang, Mohd Anas, Andrey Kutepov et al.·Apr 7, 2026SaveLearn
Ultrafast nonlinear Hall effect in black phosphorusThe nonlinear Hall effect (NHE) is a recently discovered member of the Hall effect family in which the Hall voltage shows a nonlinear behavior when a transverse electric field is applied. While the…Maciej Dendzik, Andrea Marini, Samuel Beaulieu et al.·Apr 7, 2026SaveLearn
The HTC-Claw: Automating Discovery through High-Throughput Computational CampaignsWith the advancement of the Materials Genome Initiative, high-throughput computation has become central to accelerating materials discovery. However, conventional first-principles workflows are…Lianduan Zeng, Xiao Zhou, Xueru Zheng et al.·Apr 7, 2026SaveLearn
Large Language Model Assisted Discovery of Optimal Dopants for Enhanced Thermoelectric Performance in CoSb3 Based SkutteruditesWe present a data-driven approach for accelerating the discovery of high-performance CoSb3-based skutterudites by curating a comprehensive dataset of compositions with various filler elements from…Yagnik Bandyopadhyay, Dylan Noel Serrao, Houlong L. Zhuang·Apr 7, 2026SaveLearn
Composition design of refractory compositionally complex alloys using machine learning modelsRefractory compositionally complex alloys (RCCAs) are considered the next generation high-temperature materials. However, their high-dimensional composition spaces are too large to explore by…Tao Liang, Eric A. Lass, Haochen Zhu et al.·Apr 7, 2026SaveLearn
ALD Zinc Tin Oxide Buffers for Chalcopyrite Solar Cells: Electrical Barriers and Conduction Band CliffsSulfide chalcopyrite, Cu(In,Ga)S2, having wide bandgap (larger than 1.5 eV), favorable optoelectronic properties, and high stability, is a promising top-cell absorber for tandem applications.…Boaz Koren, Francesco Lodola, Zhuangyi Zhou et al.·Apr 7, 2026SaveLearn
Additive-Induced Stabilization of the Energetic Landscape of PM6:Y12 Organic Solar CellsSolvent additive engineering is a common strategy in organic photovoltaic (OPV) fabrication to improve film morphology and enhance device performance by controlling phase-separation kinetics and…Bekcy Joseph, Shivam Singh, Nathaniel P. Gallop et al.·Apr 7, 2026SaveLearn
Loss analysis of Low Bandgap (Ag,Cu)(In,Ga)Se2 Solar Cells for Tandem ApplicationsTandem solar cells can better harness the energy of the solar spectrum. Chalcopyrite solar cells have drawn attention, being the only highly efficient devices with bandgap around 1.0 eV, suitable for…Francesco Lodola, Sevan Gharabeiki, Maximilian Krause et al.·Apr 7, 2026SaveLearn
Near 13% efficient semitransparent Cu(In,Ga)S2 solar cells with band gap of 1.6 eV on transparent back contactWide-gap Cu(In,Ga)S2 solar cells with In2O3:Sn (ITO) as transparent back contact are evaluated for the application as top cells in tandem devices. The effect of Na on the solar cell performance is…Kulwinder Kaur, Arivazhagan Valluvar Oli, Michele Melchiorre et al.·Apr 7, 2026SaveLearn
The effect of Nb and O on the martensitic transformation in the Ti-Nb-O alloysThis study examines the influence of niobium and oxygen on phase stability, crystal structure, and martensitic transformation pathways in Ti-Nb-O alloys. A series of Ti-(8-28)Nb-(0-3)O (at.%) alloys…Kristián Šalata, Dalibor Preisler, Josef Stráský et al.·Apr 7, 2026SaveLearn
A Physics-Informed Chemical Rule for Topological Materials DiscoveryTopological phases of matterx2013comprising both insulators and semimetalsx2013offer great potential for quantum applications, but identifying new candidates remains…Xinyu Xu, Arif Ullah, Ming Yang·Apr 7, 2026SaveLearn
Ab initio GW-BSE theory of optical activity in α-quartzWe present an ab initio many-body theory of optical activity in solids within the GW-BSE framework. Dielectric spatial dispersion is formulated in two complementary forms: exciton envelope modulation…Xiaoming Wang, Yanfa Yan·Apr 7, 2026SaveLearn
Rationalizing defect formation energies in metals and semiconductors with semilocal density functionalsThe study of defects in materials is of utmost importance for technological applications and the design of new materials. In this work, we analyze the performance of density functional approximations…Jorge Vega Bazantes, Timo Lebeda, Akilan Ramasamy et al.·Apr 7, 2026SaveLearn
Chemical Short-Range Order Regulates Hydrogen Energetics and Hydrogen-Dislocation Interactions in CoNiVChemical short-range order (CSRO) has emerged as a critical structural feature in concentrated alloys, yet its coupling with hydrogen remains an active discussion. Here, we develop a machine-learning…Beihan Chen, Dalia Sayed Ahmed, Yang Yang et al.·Apr 7, 2026SaveLearn
Historical Foundation and Practical Guideline for Ferroelectric Switching Kinetic StudiesElectrical measurements of ferroelectric switching kinetics are widely used to probe the dynamics of polarization reversal, yet the influence of the measurement circuit is often underappreciated. In…Yi Liang, Pat Kezer, John T. Heron·Apr 7, 2026SaveLearn
Re-refinement of the structure of the planar hexagonal phase of ZnO nanocrystalsThe planar hexagonal phase of ZnO, known as h-ZnO, g-ZnO, α-ZnO, the Bk structure, the 5-5 phase, the α-BN phase, etc., has P63/mmc symmetry and is implicated in ferroelectric switching mechanisms…Musen Li, Lingyao Zhang, Wei Ren et al.·Apr 7, 2026SaveLearn
Broken Symmetry-driven Weyl Semimetal Phase in Zn-Substituted EuMn2Sb2The interplay between magnetism and electronic topology offers a powerful route to realizing emergent quantum phases. Here, we show that Zn substitution in the layered compound EuMn2Sb2 drives…Deep Sagar, Arti Kashyap·Apr 6, 2026SaveLearn
Stability and superstructural ordering of alkali-triel-pnictide clathrates A8T27Pn19Clathrates are a class of inclusion compounds that offer various useful and surprising phenomena, including superconductivity, thermoelectricity, and the potential for high-density ion storage.…Frank Cerasoli, Xiaochen Jin, Genevieve Amobi et al.·Apr 6, 2026SaveLearn
Many-body description of two-dimensional van der Waals ferroelectric α-In2Se3Two-dimensional (2D) van der Waals ferroelectrics are recognized for enabling many applications, from memory and logic to neuromorphic computing, as well as transforming other materials to control…Denzel Ayala, Dimitar Pashov, Tong Zhou et al.·Apr 6, 2026SaveLearn
Understanding insulating ferromagnetism in LaCoO3 films under tensile strainLaCoO3 thin films grown under epitaxial tensile strain exhibit a robust ferromagnetic insulating state that is absent in the bulk. Despite many studies, both experimental and computational, the…Ali Barooni, Murod Mirzhalilov, Mohit Randeria et al.·Apr 6, 2026SaveLearn
Zr Concentration-Dependent Sub-Lattice Phase-Field Model of Hf1-xZrxO2: Analysis of Phase Composition and Polarization SwitchingWe develop a sub-lattice phase-field model of Hf1-xZrxO2 incorporating zirconium (Zr) concentration (x)-dependence. Our framework expands the time-dependent Ginzburg-Landau (TDGL) equation to the…Tae Ryong Kim, Sumeet K. Gupta·Apr 6, 2026SaveLearn
Experimental measurements and modeling of characteristic time scales in single iron particle ignitionRecyclable metal fuels such as iron are promising carbon-free energy carriers for heat and power. In such systems, particle ignition characteristics strongly affect combustion efficiency and…Liulin Cen, Yong Qian, XiaoCheng Mi et al.·Apr 6, 2026SaveLearn
Multiferroicity in the Presence of Exchange Bias: The Case of Spinel CoMn2O4Ferrimagnetic spinel materials of formula AB2X4, where A and B are transition metals and X is oxygen or sulphur, hold promise for the realization of multiferroic characteristics. In this work, we…P. Kumar, P. Das, B. K. Kuanr et al.·Apr 6, 2026SaveLearn
Engineering 2D high-temperature ferromagnets with large in-plane anisotropy via alkali-metal decoration in a tetragonal CoSe monolayerTwo-dimensional (2D) ferromagnetic materials with high Curie temperature (T c) and large magnetic anisotropy energy (MAE) are critical for nanoscale spintronics but remain rare. We propose,…Yiran Peng, Yanfeng Ge, Yong Liu et al.·Apr 6, 2026SaveLearn
Transforming Discarded Thermoelectrics into High-Performance HER CatalystsWith the increase in the complexity of the materials used in various sophisticated electronic devices, recycling of E-waste is becoming challenging. In the present study, we have converted…Gemeda Jemal Usa, Caique C. Oliveira, Varinder Pal et al.·Apr 6, 2026SaveLearn