Low-resistivity nitrogen-doped p-type Cu2O thin films enabled by millisecond flash lamp annealingFlash lamp annealing (FLA) provides millisecond-scale thermal processing, but its effects on p-type Cu2O and nitrogen-related defects remain poorly understood. Reactively sputtered Cu2O:N films with…Jan Koloros, Pavel Baroch, Thomas Preußner et al.·Aug 5, 2026SaveLearn
Fine-Tuning Small Language Models for Reliable VASP INCAR GenerationLanguage models can prepare VASP INCAR files from natural-language requests, but so far only large proprietary cloud models come close to handling the tightly coupled, physics-sensitive settings…Xinyue Zhang, Jixiang Li, Bin Shao et al.·Aug 5, 2026SaveLearn
Nitrogen Vacancy Centers in Hexagonal Diamond Exhibit Long Coherence TimesWe show that negatively charged nitrogen-vacancy (NV) centers in the hexagonal diamond polymorph lonsdaleite offer a route to spin qubits with enhanced coherence relative to their cubic-diamond…Gabriel Kumar, Siyuan Chen, Victor Wen-zhe Yu et al.·Aug 5, 2026SaveLearn
Cooperative adsorption and diffusion trapping induced by AlF3 intercalation in graphiteGraphite's structural and electronic response to molecular intercalation is central to its performance as a carbon-based electrode material, yet the microscopic coupling between subsurface…H. Betancourt-Infante, G. Ruano, F. Bonetto et al.·Aug 5, 2026SaveLearn
The crossmetric tensor and the geometrical meaning of the imaginary numbersThe product of two Cartesian quaternions can be written as a quadratic form based on a 4x4 matrix made of the symbols 1,i,j,k where i,j,k are imaginary numbers introduced by Hamilton. We generalized…Cyril Cayron·Aug 5, 2026SaveLearn
Effective single particle picture for anharmonic lattice dynamics: a Rosetta stone for electronic and ionic responseWe establish a theoretical framework for the dynamics of a lattice of ions in a mean-field approach, where anharmonicity is included via self-consistency. In this picture, the many-body dynamics of a…Giovanni Caldarelli, Francesco Mauri·Aug 5, 2026SaveLearn
HPHT growth of centimeter-sized cubic boron nitride crystalsSingle crystals of cubic boron nitride (cBN) exceeding 10 mm in size were grown by the high-pressure high-temperature (HPHT) temperature-gradient method using a Ni-Cr-based solvent catalyst. Compared…Andrey Katrusha, Weihua Peng, Jianguo Peng et al.·Aug 5, 2026SaveLearn
X-ray Thermal diffuse scattering from real-space displacement correlationsWe introduce a method for calculating X-ray thermal diffuse scattering based on the three-dimensional difference pair distribution function (3D-dPDF). Within the harmonic approximation the method is…Benjamin Fahl, Jonathan Bulled, Artem Korshunov et al.·Aug 5, 2026SaveLearn
Delocalized Coupled-Cluster Theory for Polaron Structure and DynamicsPolaron ground states and finite-temperature dynamics remain challenging to simulate because existing methods struggle to combine nonperturbative accuracy, systematic improvability, and scalability…Hamlin Wu, Moritz K. A. Baumgarten, Tong Jiang et al.·Aug 5, 2026SaveLearn
Effects of Interfacial States and Strain on Tunnel Magnetoresistance in van der Waals Magnetic Tunnel JunctionsAll-two-dimensional magnetic tunnel junctions promise atomically sharp interfaces, yet the role of interface-induced states in their spin transport is not fully understood. Here, we theoretically…Sakshi Goel, Arti Kashyap, Keisuke Masuda et al.·Aug 5, 2026SaveLearn
Structural Chirality from Short-Range Order in Heteroanionic MaterialsEstablished routes to structural chirality in inorganic crystals depend on symmetry-lowering atomic displacements of an achiral parent structure. We show that chirality can instead be forced by the…Benjamin J. Morgan·Aug 5, 2026SaveLearn
Growth and characterization of GaN/Ga2O3 Nanowire Heterostructures for Ultraviolet OptoelectronicsUltraviolet-range GaN/b-Ga2O3 heterostructures were fabricated and investigated in both planar and nanowire geometries using pulsed laser deposition and reactive magnetron sputtering from a liquid…Edgars Butanovs, Eriks Dipans, Martins Zubkins et al.·Aug 5, 2026SaveLearn
An Exchange-Correlation Functional for Fast and Accurate Modeling of Ferroelectric PerovskitesWe present a novel exchange correlation functional, C09x-PBEc, which combines C09 exchange with PBE correlation, to accurately model the ferroelectric properties of perovskites while retaining the…Owain T. Beynon, Chiara Gattinoni·Aug 5, 2026SaveLearn
A phase field model of coupled crack and dislocations: emission, blunting, and the necessity of dissipative tougheningWe propose a phase field model of a macrocracked single crystal in which the crack and the geometrically necessary dislocations descend from a single energy functional. Energy minimization alone then…Khanh Chau Le, Thi My Kieu Tran·Aug 5, 2026SaveLearn
Unifying microscopic theories for the phono-magnetic effectPhonon angular momentum induces an effective magnetic field, a phenomenon called phono-magnetic effect, which has been measured to vary significantly in size. Here, we compare three approaches for…Natalia Shabala, Finja Tietjen, Ylva Liljegren et al.·Aug 5, 2026SaveLearn
Atomic Scale Ordering of Sulfur Vacancies Enhances Charge Transport in Monolayer MoS2Defect engineering in two-dimensional semiconductors has primarily focused on controlling the nature and concentration of atomic defects. Here, we show that the spatial arrangement of defects can be…Alessandro Pecchia, Andrea Lorenzoni, Alexander Croy et al.·Aug 5, 2026SaveLearn
Performance Analysis of Double Perovskite-Based Solar Cells Using SCAPS-1D Simulation: A brief reviewLead-free double perovskites are among the rapidly developing next-generation solar cell technologies, providing the required low toxicity, stability, as well as high optoelectronic potential. So…H. Laltlanmawii, Lalrem Kima, Mahabur Rahman et al.·Aug 5, 2026SaveLearn
Nanomechanics of MXene flakes at gold interfacesThe demand for novel self-powering and sustainable electronics requires major efforts in identifying new advanced materials for nano-applications. MXene have gathered attention due to their…Pierluigi Bilotto, Sabine Schwarz, Marko Piljevic et al.·Aug 5, 2026SaveLearn
Raman Signatures of Lithium Ion Dynamics in LLZO Garnet Electrolytes: Atomistic Insights from MD-Raman CalculationsLithium lanthanum zirconate (LLZO) garnets are among the most promising solid electrolytes for next-generation batteries owing to their high ionic conductivity, chemical stability, and compatibility…Takeru Miyagawa, Willis O'Leary, Manuel Grumet et al.·Aug 5, 2026SaveLearn
Nanosecond timescale plasticity in shock-compressed polycrystalline MgO: evidence for transition in mechanism above 100 GPaThe mechanical properties of ceramics under extreme conditions directly impact applications ranging from shielding spacecrafts, designing plasma facing materials in nuclear fusion to understanding…A. Chakraborti, H. Ginestet, F. Bertrand et al.·Aug 5, 2026SaveLearn
The Frequency-Dependent Spin Contribution to the Magnetoelectric Tensor of Cr2O3: A First-Principles StudyThe magnetoelectric (ME) effect provides a promising pathway for controlling magnetic functionalities using electric fields. While first-principles methods for the static linear ME response are well…Torsten Geirsson, Davide Sangalli, Alberto García-Cristóbal et al.·Aug 5, 2026SaveLearn
Nano-scale visualization of magnetic vortices in metal nanoparticlesMagnetic vortices in individual nanoparticles are fundamental spin structures that govern the properties of next-generation magnetic devices and biomedical applications. However, directly imaging…Satoko Toyama, Yoshiki O. Murakami, Ayako Nishikawa et al.·Aug 5, 2026SaveLearn
Monolithic integration of optically anisotropic GeSe-based films on GaAs by templated solid-phase epitaxyLayered IV-VI semiconductors such as GeSe exhibit strong in-plane optical anisotropy, making them promising candidates for polarization-sensitive photonic devices. However, realizing these properties…Kira J. Martin, Autumn Y. Lee, Pranav Mahaadev et al.·Aug 5, 2026SaveLearn
Unveiling the Role of Friction in Coarse-Grained Clay: A Hybrid Framework Integrating Long-Range Interactions and Granular Contact MechanicsGiven the predominant role of inter-particle physicochemical forces in governing clay behavior, researchers have increasingly utilized coarse-grained molecular dynamics (CGMD) simulations. However,…Wang-Qi Xu, Yijie Wang, Zhen-Yu Yin·Aug 5, 2026SaveLearn
Generalized Space Groups from Internal Configuration SpacesWe develop a unified construction of generalized space groups for crystals with unconventional internal degrees of freedom. Starting from the full group GP of allowed internal transformations and…Zeying Zhang, Zhenye Li, Zhi-Ming Yu et al.·Aug 5, 2026SaveLearn