Prediction of coherent interfaces between diamond and clathrate structuresDiamond (or its binary zincblende variant)-type structure can form coherent interface with clathrate type II via the common transitional layer known previously as a (3× 3)-dimer-stacking fault…Eva Pospíšilová, Marek Mihalkovič·Jul 1, 2026SaveLearn
The BiP-PRISM algorithm for fast and scalable core-loss STEM-EELS simulationsQuantitative interpretation of atomic-resolution STEM-EELS requires dynamical simulation of the electron probe before and after core-loss transitions, which is computationally expensive. While the…Philipp Pelz·Jul 1, 2026SaveLearn
Atomic Cluster Expansion Potentials for Screw Dislocations in BCC Refractory MetalsAccurate atomistic modeling of screw dislocations in body-centered cubic (bcc) metals remains challenging because their plasticity is governed by a complex dislocation glide behavior due to their…Lei Zhang, Francesco Maresca·Jul 1, 2026SaveLearn
Double-pulse control of all optical magnetization reversal in Tb/Co multilayersRecent experiments have shown that femtosecond laser pulse with a Gaussian intensity profile can induce magnetization reversal in Tb/Co multilayers with a ring-shaped switching pattern within the…Sheng Li, Dinar Khusyainov, Rein Liefferink et al.·Jul 1, 2026SaveLearn
In vacuo synthesis of single-layer Ni3(HITP)2 on HOPG surface using metallo-organic precursorSingle-layer conjugated metal-organic frameworks (SL c-MOFs) are predicated theoretically to host rich quantum phases. To date, however, the experimental synthesis has largely resulted in SL c-MOFs…Chuyu Song, Yifei Feng, Henan Chen et al.·Jul 1, 2026SaveLearn
Entropy-Driven Structural Phase Transition in Nb3Cl8 via Density Functional Theory and an Effective ModelAs a prototypical flat-band cluster Mott insulator on an effective triangular lattice, Nb3Cl8 is a potential candidate for hosting a quantum spin liquid (QSL) state. Nevertheless, a first-order…Chenjie Zhu, Shuai Zhang, Zhong Fang et al.·Jul 1, 2026SaveLearn
A general-purpose atomic cluster expansion interatomic potential for niobiumNiobium, a body-centered cubic transition metal, poses a challenge for interatomic potentials, which struggle to capture its properties, such as phonons, high-pressure behavior, energy barriers to…Aleksei Egorov, Ralf Drautz, Thomas Hammerschmidt·Jul 1, 2026SaveLearn
Effect of granules anisotropy on "double quantum" magnetic resonance excitation in nanogranular compositesFilms of metal-insulator nanogranular composites (CoFeB)x(Al2O3)100-x with different contents of the metal ferromagnetic (FM) phase CoFeB (x ~ 15-50 at.%) are investigated by the method of electron…A. B. Drovosekov, M. Yu. Dmitrieva, A. V. Sitnikov et al.·Jul 1, 2026SaveLearn
Atom-selective spin-polarized transport in a charge-ordered altermagnetAltermagnets provide a promising platform for spin-polarized transport without net magnetization, but their transport properties are usually discussed in terms of momentum-space spin splitting. Here,…Liu Yang, Yuan-Yuan Jiang, Xiao-Yan Guo et al.·Jul 1, 2026SaveLearn
Modulation of the Nernst Thermoelectrics by Regulating the Anomalous Hall and Nernst AnglesThe large anomalous Nernst effect in magnetic Weyl semimetals is one of the most intriguing transport phenomena, which draws significant attention for its potential applications in topological…Meng Lyu, Junyan Liu, Jianlei Shen et al.·Jul 1, 2026SaveLearn
Orbital Hall effect-driven spin-orbit torque enhancement in Ti-based systems via rare-earth interface engineeringOrbital currents in light metals offer large orbital Hall conductivities, yet translating this into practical spin-orbit torque efficiency is hindered by fundamental limitations. In this work, we…Rohiteswar Mondal, Chennoju Raghu, Animesh Baral et al.·Jul 1, 2026SaveLearn
A new Fermi kinetic phase transition model for metals including hysteresis effectsWe present a new phenomenological model for phase transformation (PT) kinetics in metals, the "Fermi Kinetic Phase Transition (KPT) Model". It is designed such that it captures the main…Ann E. Mattsson Wills, Daniel N. Blaschke, Michael B. Prime et al.·Jul 1, 2026SaveLearn
Exploring the Origins of Anti-Ambipolarity in BBL Polymer: Links to Redox Chemistry, Electronic Structure, and Structural DynamicsWe examine the intrinsic physical-chemical properties of the conjugated ladder-type polymer poly(benzimidazobenzophenanthroline) (BBL) in response to electron transfer. We aim at explaining the…Maryam Ghotbi, Alejandro Aviles, Perla B. Balbuena·Jul 1, 2026SaveLearn
Kagome edge states under lattice termination, spin-orbit coupling, and magnetic orderWe study the edge state properties of a two-dimensional kagome lattice using a tight-binding approach, focusing on the role of lattice termination, spin-orbit coupling, and magnetic order. In the…Sajid Sekh, Annica M. Black-Schaffer, Andrzej Ptok·Jul 1, 2026SaveLearn
DFT modelling of stacking faults in hexagonal and cubic GaNWe have performed density functional theory (DFT) calculations to characterize the energetics, and the atomic and electronic structure, of stacking faults in GaN, both in the stable hexagonal…Zijie Wang, Mazharul M. Islam, David R. Bowler·Jul 1, 2026SaveLearn
High Thermoelectric Performance via Stacking-Controlled Symmetry Breaking in Layered XZnBi (X = Rb, Cs) Zintl MaterialsHigh thermoelectric efficiency requires high Seebeck coefficient, high electrical conductivity, and low thermal conductivity. However, strategies that suppress thermal conductivity often…Aadil Fayaz Wani, Nirma Kumari, SuDong Park et al.·Jul 1, 2026SaveLearn
Terahertz oscillation of 180 domain walls in ferroelectric membranesA fundamentally intriguing yet not well understood topic in the field of ferroelectrics is the collective excitation of domain walls (DWs), with potential applications to DW-based nanoelectronic and…Xiangwei Guo, Jiaxuan Wu, Yujie Zhu et al.·Jul 1, 2026SaveLearn
Magnetoelectric effect in multiferroic metals via a direct spin-charge interactionMuch is known about the magnetoelectric effect of multiferroic insulators, yet little is understood about multiferroic metals. In this work, we propose a stacking engineering strategy based on…Zefei Han, Haojin Wang, Yuanchang Li·Jul 1, 2026SaveLearn
Efficient spin-pumping and spin transport across epitaxial Mn3Sn(0001) noncollinear antiferromagnet/permalloy interfacesThe generation and control of spin currents are crucial for advancing next-generation spintronic technologies. These technologies depend on materials capable of efficiently sourcing and…Surya N. Panda, Ning Mao, Nikolai Peshcherenko et al.·Jul 1, 2026SaveLearn
QSPR Analysis with Curvilinear Regression Modeling and Temperature-based Topological IndicesEstablishing quantitative correlations between various molecular properties and chemical structures is of great technological importance for environmental and medical aspects. These approaches are…H. M. Nagesh·Jul 1, 2026SaveLearn
Anomalous bulk dealloying below the parting limitDealloying has been extensively studied both as a corrosion degradation mechanism in structural materials, including those used in nuclear, aerospace, or marine environments, and as a versatile…Weiyue Zhou, Hooman Gholamzadeh, Lei Ding et al.·Jun 30, 2026SaveLearn
Dominant-pair free energies predict phase selection in high-entropy alloysPhase selection in multicomponent alloys is governed by the competition between entropic stabilization of disordered solutions and enthalpic driving forces for chemical ordering. However, widely used…Dennis Boakye, Chuang Deng·Jun 30, 2026SaveLearn
Structure-Dependent Chemical Order Modification in Strained Alloy NanoparticlesAlloy nanoparticles (nanoalloys) exhibit tuneable physicochemical properties that depend sensitively on their atomic arrangement, making control over chemical ordering a central challenge in…Yue Wang, Zibo Chen, Evropi Toulkeridou et al.·Jun 30, 2026SaveLearn
Topological Hall plateau in quasi-2D kagome magnet YMn6Sn6We examine the impact of the Dzyaloshinskii--Moriya interaction (DMI) in kagome magnets and show that a predominantly planar DMI together with ferromagnetic exchange stabilizes a disordered skyrmion…Sambit Jena, Nastaran Salehi, Manuel Pereiro Lopez et al.·Jun 30, 2026SaveLearn
What enables GaOx as hole transport layer for a 16 percent 1.0 eV CuInSe2 Bottom Cells with VOC above 550 mV?Among the highly efficient photovoltaic technologies, that do not rely on epitaxy, only chalcopyrites have a bandgap tunable down to 1.00 eV, the ideal for tandem applications. This is obtained with…Francesco Lodola, Zhuangyi Zhou, Boaz Koren et al.·Jun 30, 2026SaveLearn