Si/SiGe multi-channel superlattice structure epitaxial growth with segmented temperature control for Next-Generation Logic DevicesStacking multiple SiSiGe channels in advanced logic devices faces severe thermal budget accumulation, which degrades interfaces via Ge-Si interdiffusion and strain relaxation.This strategy lowers the…Wenlong Yao, Zhigang Li, Guobin Bai et al.·May 7, 2026SaveLearn
Physics-Grounded Understanding of Thermal Boundary Conductance between Ga2O3 and SiC from a Feedforward Neural Network PotentialGa2O3/SiC heterointegration is attractive for ultra-wide-bandgap power electronics, but interfacial thermal boundary conductance (TBC) remains a major heat-removal bottleneck. Direct…Nuohao Liu, Chen Shen, Yue Cao et al.·May 7, 2026SaveLearn
Tuning charge-transport properties and magnetic order in metallic EuTiO3-δThe stoichiometric antiferromagnetic insulator EuTiO3 is proximate to a ferroelectric phase. Whereas cation substitution has been used as a tuning parameter to introduce charge carriers and…Xing He, Chiou Yang Tan, Issam Khayr et al.·May 7, 2026SaveLearn
Strain-Dependent Ionic Transport in Li3YCl6 Solid ElectrolytesSolid-state batteries require electrolytes that sustain high ionic conductivity under the mechanical environment of a functioning cell. Lattice strain, arising from stack pressure, thermal cycling,…Wei-Fan Huang, Jin Dai, Jiahui Pan et al.·May 7, 2026SaveLearn
Band Unfolding via the Quadratic PseudospectrumBand theory provides the foundation for understanding electronic structure in crystalline materials, but its reliance on exact translational symmetry limits its applicability to systems with defects,…Christopher A. Bairnsfather, Ralph M. Kaufmann, Terry A. Loring et al.·May 6, 2026SaveLearn
MLM: Multi-Layer Moire -- A Python Package for Generating Commensurate Supercells of Twisted Multilayer Two-Dimensional MaterialsMoire superlattices formed by stacking atomically thin two-dimensional materials with a relative twist angle have emerged as a versatile platform for engineering quantum electronic, optical, and…Anikeya Aditya, Sampad Mohanty·May 6, 2026SaveLearn
Structural effects of liquid infiltration of 3Y-Zirconia with Sc, Mg and YThe current work has investigated the effect of co-doping 3Y-Zirconia (3YSZ) with Sc, Mg and Y by wet infiltration. Pre-sintered discs of 3YSZ were immersed in diluted nitric acid solutions…Asbjoern Slagtern Fjellvaag, Oystein Slagtern Fjellvaag, Amund Ruud·May 6, 2026SaveLearn
From Bulk to Surface: Structure and Dynamics of Amorphous Alumina from Deep Potential Molecular DynamicsUnderstanding the atomic-scale structure and dynamics of amorphous oxide surfaces is essential for interpreting their chemical reactivity, mechanical stability, and interfacial behavior, yet direct…Zheng Yu, Jiayan Xu, Abhirup Patra et al.·May 6, 2026SaveLearn
Light-Induced Even-Wave Spin Splittings in Nonmagnetic Centrosymmetric Systems with Spin-Orbit CouplingSpin splitting underpins a vast range of spin-dependent phenomena. Traditionally, two primary mechanisms generate such splitting: relativistic spin-orbit coupling (SOC) and nonrelativistic magnetic…Xiao-Jiao Wang, Dongling Liu, Di Zhu et al.·May 6, 2026SaveLearn
Building informative materials datasets beyond targeted objectivesMaterials science data collection can be expensive, making the reuse and long-term utility of datasets critical important for future discovery campaigns. In practice, researchers prioritize a subset…Rafael Espinosa Castañeda, Ashley Dale, Hongchen Wang et al.·May 6, 2026SaveLearn
Uncovering hidden bias in neutron diffraction residual strain measurementsWhen calculating residual strain via neutron or X-ray diffraction, uncertainties propagated from the peak fit are often inadequate to describe the true scatter of measurements about a singular strain…Cole Franz, Michael B. Prime, Jeffrey Bunn et al.·May 6, 2026SaveLearn
Temperature dependence of the Gibbs energies of formation of point defects in B2 MoTa from ab initio calculationsUsing B2 MoTa, the strongest B2 former among group V/VI refractory binaries, as a model system, we compute temperature-dependent Gibbs energies of formation of vacancies and antisites from ab initio…Xiang Xu, Fritz Körmann, Sergiy Divinski et al.·May 6, 2026SaveLearn
From Defects to Devices: Design Guidelines for High-Performance Diamond-Based Solar Cells and Single-Dopant DiodesThis work establishes key technological guidelines for designing diamond-based optoelectronic devices, derived from a first-principles investigation of two architectures: a PIN junction with a…Matúš Kaintz, Antonio Cammarata·May 6, 2026SaveLearn
Efficient Quasi-Resonant, Polarization-Selective Excitation of GaN Quantum EmittersDefect centers in GaN emerge as bright sources of single-photons which recently have been demonstrated to optically interface a localized spin. However, the structure and composition of these defects…Nilesh Dalla, Paweł Kulboka, Michał Kobecki et al.·May 6, 2026SaveLearn
A Two-Step Chemical Vapor Deposition Process for the Synthesis of an Ir(111)/Borophene/2D-Hexagonal Boron Nitride Heterostructure by Intrinsic SegregationWe report on a two-step ultrahigh vacuum chemical vapor deposition synthesis of a vertical Ir(111)/borophene/hexagonal boron nitride heterostructure, using borazine as a single-source precursor. The…Marko A. Kriegel, Karim M. Omambac, Smruti R. Mohanty et al.·May 6, 2026SaveLearn
Dynamical pseudopotentialsPseudopotential theory has greatly driven first-principles calculations in materials, replacing the explicit treatment of the chemically inert core electrons with an effective potential acting only…Matteo Quinzi, Tommaso Chiarotti, Nicola Marzari·May 6, 2026SaveLearn
Effective long-range attraction of moiré excitons under the influence of atomic reconstructions and anisotropic screeningThe moiré pattern, which emerges due to a relative rotation between two monolayers of transition metal dichalcogenides, features a long lattice period for small twist angles. The resulting band…Nils-Erik Schütte, Carl Emil Mørch Nielsen, Niclas Götting et al.·May 6, 2026SaveLearn
Unveiling the Atomistic Mechanisms of Shear-Induced LDA Transformations and Shear Banding in Amorphous Silicon under High PressuresLarge-scale molecular dynamics simulations of shear deformation under constant pressures of amorphous silicon, PT from low-density-amorphous (LDA) to high-density-amorphous (HDA) Si, and formation of…Hao Chen, Valery I. Levitas, Tengyi Liu et al.·May 6, 2026SaveLearn
Thermodynamics of stacking faults and phase stability in cobalt alloys: A combined computational and experimental studyStacking fault energy dictates phase stability and deformation behavior in Co alloys and WC-Co cemented carbides, yet a quantitative assessment of alloying effects at finite temperatures remains…Zheng Zhong, Ziqi Cui, Yu Zhuo et al.·May 6, 2026SaveLearn
Magnetic influence on ion transport in concentrated solid solutions: An analytic investigationIt is well established that magnetic fields have a significant effect on transport in certain classes of electronic conductors. Less reported, however, are similar effects in solid ionic conductors.…Timothy Carlson, Sanjay Govindjee·May 6, 2026SaveLearn
Berry Phase of Bloch States through Modular SymmetriesThe theoretical identification of crystalline topological materials has enjoyed sustained success in simplified materials models, often by singling out discrete symmetry operations protecting the…Emanuele Maggio·May 6, 2026SaveLearn
Hydrogen-induced volume expansion in hexagonal close-packed iron: Effects of pressure and temperatureHydrogen is a promising candidate for the light element in terrestrial planetary cores. Its incorporation into iron causes significant volume expansion, leading to a substantial density deficit.…Yuichiro Mori, Masahiro Takano, Hiroyuki Kagi et al.·May 5, 2026SaveLearn
Spin Dynamics from Atomistic Quantum SimulationsOptically active solid-state spin defects are promising candidates for quantum applications, however a unified theoretical framework to predict their spin dynamics at high temperatures is not yet…Enrico Drigo, Marquis M. McMillan, Benjamin Pingault et al.·May 5, 2026SaveLearn
An extended ab initio theory of the VB- center in hBN: excited states, Jahn-Teller distortion, and pressure dependenceEnsembles of negatively charged boron vacancy (VB-) centers in hexagonal boron nitride (hBN) have emerged as a two-dimensional spin qubit system interfaced with optics to advance…Zsolt Benedek, Ádám Ganyecz, Oscar Bulancea-Lindvall et al.·May 5, 2026SaveLearn
Magneto Transport and Spin Reorientation in Pt Co78Ho22 Heterostructures Near the Sublattice Compensation TemperatureMetallic amorphous ferrimagnets of 3d transition metals (TM) and rare earths (RE) with 4f electrons exhibit rich magneto transport behavior due to the interplay between the 3d and 4f magnetic…Rajeev Nepal, Jose Flores, Aurain Seaton et al.·May 5, 2026SaveLearn