Epitaxial inversion of spontaneous polarization in ε-Ga2O3Polar wide bandgap semiconductors offer the unique capability to manipulate internal electric fields and induce two-dimensional electron gases (2DEG). The emerging orthorhombic ε-Ga2O3 is a promising…Yan Wang, Zhigao Xie, Weihua Tang et al.·Sep 16, 2026SaveLearn
Gauge-including neural-network quantum Monte Carlo for molecules in magnetic fieldsExternal magnetic fields, through their coupling to orbital and spin motion, complicate the correlated electronic states and impose coordinate-dependent phases on the wavefunction, thereby making…Chengye Lü, Weizhong Fu, Xin-gao Gong et al.·Sep 16, 2026SaveLearn
Photoresponse properties of single-crystalline thick film based on high-entropy topological insulator (Bi3/4Sb1/4)2(Te2/5Se2/5S1/5)3High-entropy topological insulator (Bi3/4Sb1/4)2(Te2/5Se2/5S1/5)3 has been for the first time prepared by self-propagating high-temperature synthesis and melting methods. Single-crystalline…Alexei Vasilev, Marina Zhezhu, Oleg Ivanov·Sep 16, 2026SaveLearn
Adaptive Substrate Support Based on Thin-Film Piezoelectric ActuatorsAdvanced lithography scanners require extreme substrate flatness in the range of nanometers to prevent focus errors. Such a flatness is challenging to reach and maintain using static substrate…Ertuğ Şimşek, Bas Jansen, Marcelo Ackermann et al.·Sep 16, 2026SaveLearn
Low Temperature Halide Assisted HVPE Growth of Single Crystal AlN FilmsLow defect, single polarity aluminum nitride layers grown by halide vapor phase epitaxy (HVPE) methods have classically needed growth temperatures well exceeding 1100°C with many of the best results…K. Udwary, M. Smeaton, J. S. Mangum et al.·Sep 16, 2026·Top 77%SaveLearn
Hypothesis-Driven Autonomous Materials Synthesis with Multimodal LLM AgentsSelf-driving laboratories can explore synthesis conditions autonomously, but their decision-making layer is typically a black-box optimizer, and the output is a set of optimized samples, with the…Izumi Takahara, Kazunori Nishio, Akira Aiba et al.·Sep 16, 2026SaveLearn
Nonempirical Time-Dependent Density Functional Theory Framework for Nonlocal Exchange--Correlation PotentialsAdvanced, orbital-dependent exchange--correlation (XC) functionals can significantly improve the description of electronic structural properties, but they substantially worsen spectral properties…Zhandos A. Moldabekov, Michele Pavanello, Thomas D. Gawne et al.·Sep 16, 2026SaveLearn
ERAF4XRD: A multimodal agentic framework for constructing validated experimental X-ray diffraction databases from scientific literatureThe scientific literature contains decades of experimental measurements that remain difficult to access as structured data for modern AI and data-driven research. Much of this information is…Afnan Mostafa, William Ratcliff, Simon J. L. Billinge et al.·Sep 16, 2026·Top 47%SaveLearn
Thermally Desorbable InN Capping Layers for Nitride Surface ScienceGroup III-nitride thin films are essential for optoelectronic and power devices, where surface and interface quality critically influence performance. It is often necessary to transfer these films…Mellie Lemon, Amitayush Thakur, Anthony Rice et al.·Sep 16, 2026SaveLearn
A Pseudoscalar Representation Mapping from Parent-Group Vibrational Normal Modes to Symmetry-Adapted Magnetic StructuresConventional approaches classify symmetry-allowed magnetic configurations but do not by themselves establish a direct, mode-resolved correspondence with parent-lattice vibrations. Here, we formulate…Yachao Liu, Haibo Niu, Vei Wang·Sep 16, 2026SaveLearn
The role of disconnections in redox-induced phase transformation of metal oxidesDetailed atomic-level understanding of the phase transformation between magnetite ( Fe3 O4) and haematite ( Fe2 O3) is lacking, despite widespread interest in redox reactions of…Martina Ruffino, Baptiste Bienvenu, Xuyang Zhou et al.·Sep 16, 2026SaveLearn
Rapid Parameter Estimation from Photoluminescence Decays of Halide Perovskite Thin FilmsExtracting material parameters from experimental data is often challenging if no invertible analytical equation can be used to link the data with the quantities of interest. If the link between…Robin Heumann, Toby Rudolph, Gaosheng Huang et al.·Sep 16, 2026SaveLearn
Electronic Origins of Elastic Behavior in Rocksalt, Zinc-Blende and Wurtzite 3d Transition-Metal NitridesWe present a comprehensive ab-initio study of the elastic properties of the IV-period transition metal nitrides, highlighting the correlation between their mechanical behavior and electronic…Jesus Cañas, Oliver Ambacher·Sep 16, 2026SaveLearn
Complex magnetic properties of EuAgAs single crystalsEuAgAs is an antiferromagnetic topological material exhibiting intriguing magnetic behavior. We investigate its structural, magnetic, and local electronic properties using X ray diffraction,…Karolina Kowalczyk, Kamila Komędera, Janusz Przewoźnik et al.·Sep 16, 2026SaveLearn
Direct observation of phonon mode with an antisymmetric Raman tensorPhonon angular momentum, characterized by circular or elliptical motion of atoms, plays a decisive role in diverse phenomena, ranging from the phonon Hall effect, phonon magnetic moment, Einstein-de…Shangfei Wu, Shang Ren, Kai Du et al.·Sep 16, 2026SaveLearn
Quantum electrodynamics of equilibrium systems: A rigorous Maxwell-regularized functional-theoretic formulationA framework for quantum electrodynamics of equilibrium systems is proposed that takes the Maxwell equations as foundational and links them to the structure of density-functional theory for the…Markus Penz, Christian Jöns, Michael Ruggenthaler et al.·Sep 16, 2026SaveLearn
Nitrogen based electride superconductor Nb5Ir3N under pressure: multifunctional physical properties from DFT based first-principles investigationDiscovery and study of superconducting electrides have opened new avenues in condensed matter physics, driven by their intriguing multifunctional features spanning ambient and high-pressure regimes.…M. Abdul Hadi Shah, J. H. Abir, S. H. Naqib·Sep 16, 2026·Top 100%SaveLearn
Disentangling Strain and Ti3+ Contributions to the Anomalous Hall Effect in Epitaxial RuO2 FilmsThe anomalous Hall effect (AHE) reported in epitaxial RuO2/TiO2 has been attributed to a strain-stabilized magnetic state, but strain can be entangled with Ru-Ti intermixing and interfacial charge…S. G. Jeong, A. Santhosh, S. Lee et al.·Sep 16, 2026·Top 35%SaveLearn
High-performance orbital-torque magnetic memory on the 300-mm platformContemporary memory technologies are increasingly constrained by the fundamental trilemma of storage capacity, access latency, and power consumption. Among the emerging technologies, spin-orbit…Dinggui Zeng, Yang Gao, Jinyu Duan et al.·Sep 16, 2026SaveLearn
Magnetically coupled charge-transport crossover and giant negative magnetoresistance in iodine-incorporated Cr2Se3We report the synthesis and comprehensive investigation of iodine-incorporated Cr2Se3, a non-van der Waals quasi-two-dimensional magnetic material, using structural, magnetic, transport,…Bikash Das, Shibnath Mandal, Kapildeb Dolui et al.·Sep 16, 2026SaveLearn
Floquet Spin-Antiferroelectricity in Collinear AntiferromagnetsMultiferroics combining magnetic and polar orders offer opportunities for optical control of spin and electric degrees of freedom. Here, using symmetry analysis and Floquet theory, we establish…Yu-hao Wei, Zheng Qin, Shengpu Huang et al.·Sep 16, 2026·Top 38%SaveLearn
Time-Dependent Density Functional Theory with Coulomb InteractionsWe provide the first fully rigorous justification of time-dependent density functional theory in the continuum: Given a time-dependent density, we prove that there exists an external potential,…Asbjørn Bækgaard Lauritsen, Mathieu Lewin, Jakob Oldenburg·Sep 16, 2026·Top 1%SaveLearn
Comprehensive First-Principles Investigation of the Structural, Mechanical, Electronic, and Optical Properties of Homoelemental Phase T-GaN MonolayerThe exploration of non-hexagonal two-dimensional topologies has opened new possibilities for tailoring the properties of group III-V monolayers beyond those accessible through conventional honeycomb…Djardiel S. Gomes, Isaac M. Félix, Jorge O. A. L. Torres et al.·Sep 15, 2026·Top 94%SaveLearn
Machine-Learning Exploration of Defect Topologies and Thermodynamic Stability in Graphene with Atomic VacanciesAtomic vacancies and vacancy aggregates control the thermodynamic stability and the functional response of graphene, yet the configurational space spanned by many vacancies at variable concentration…Marcos V. N. da Costa, José R. da M. Lima Filho, Kádila R. de S. Oliveira et al.·Sep 15, 2026·Top 91%SaveLearn
Surface chemistry investigation of an additively manufactured Al-Mg-Si-Zr alloy: Studies from experiments and first-principles simulationThe surface chemistry of additively manufactured aluminum alloys plays a critical role in corrosion resistance and joining with external materials. In this work, the near-surface elemental…Zhengqing Wei, Philip Grimm, Inna Plyushchay et al.·Sep 15, 2026·Top 70%SaveLearn