The New High-entropy Compound RhMnFeCoGe4 with Cubic Non-centrosymmetric B20 StructureA novel high-entropy compound, RhMnFeCoGe4, with a cubic non-centrosymmetric B20 struc- ture, has been synthesized under conditions of high pressure and temperature. The electrical transport and…V. A. Sidorov, V. N. Krasnorussky, A. V. Bokov et al.·Aug 4, 2026SaveLearn
Spin-Chirality-Driven Bulk Photovoltaic Effect in van der Waals Magnet CrSBrThe bulk photovoltaic effect (BPVE) can be greatly enriched in magnetic materials. Here, we establish vector spin chirality as a tunable knob for generating an unconventional time-reversal-even…Dezhao Wu, Yong Xu, Meng Ye et al.·Aug 4, 2026SaveLearn
Anisotropic Phonon Heat Flow and Thermoelectric Response in Tetragonal GeS2 and GeSe2The electronic structure, lattice dynamics, bonding, elastic response, and anisotropic thermoelectric transport properties of tetragonal GeS2 and GeSe2 were investigated using density…Neeraj Kulhari, Krishna Swaroop Sharma, K. C. Bhamu·Aug 4, 2026SaveLearn
Magnetic and crystal electric field excitations in a spin-orbit coupled frustrated hyperkagome magnet Nd3Li3W2O12Rare-earth based garnets provide a viable platform for studying the frustrated driven magnetic properties of the hyperkagome lattices. Herein, we report a comprehensive study of the magnetic…R. Kolay, S. Guchhait, Indrajeet S. Rathore et al.·Aug 4, 2026SaveLearn
Alloy engineering of excitonic properties in TMD monolayersWe investigate monolayer MoS2xSe2(1-x) alloys across the full composition range using optical spectroscopy. We demonstrate continuous tuning of the optical gap over 0.35 eV,…Eirini Katsipoulaki, Adlen Smiri, Panagiotis Spiliotakis et al.·Aug 4, 2026SaveLearn
Picometre-scale real-time drift correction in TEM and STEM by dynamic control of the specimen stage for atomic-resolution imagingIn this work, we show how the specimen drift can be actively compensated by controlling the stage with precision down to the picometre scale. We do this by dynamic control, a generic real-time…Christophe Gatel, Julien Dupuy, Teresa Hungria et al.·Aug 4, 2026SaveLearn
Bias Tunable Transport Modulation and Gas Selectivity in Layered BiOI: A DFT NEGF StudyUnderstanding the interplay between adsorption energetics and charge-transport modulation is essential for the rational design of low-power and bias-tunable gas sensors. Here, we present a…Jemal Yimer Damte, Jiří Houška, Pavel Baroch et al.·Aug 4, 2026SaveLearn
AccelNet: Exact backward-compatible acceleration of polynomial angular descriptors through Cartesian moment factorizationWe present AccelNet, an exact, backward-compatible method for accelerating existing trained aenet and n2p2 neural-network potentials without retraining. For angular terms with separable one-neighbor…Yuki Nagai·Aug 4, 2026SaveLearn
Apparent Dresselhaus coefficient in (001) GaAs quantum wells: Correlation-time renormalization in D'yakonov-Perel' spin relaxationWe study the Dresselhaus coefficient inferred from D'yakonov-Perel' spin relaxation in bulk GaAs and (001) GaAs quantum wells using nonballistic Monte Carlo simulations. In bulk GaAs,…Yuzo Ohno, Jun Ishihara, Satoshi Iba·Aug 4, 2026SaveLearn
Electrostatic Superlattices beyond 1:1 StoichiometryExotic nanoparticle superstructures can be accessed by harnessing nanoparticle softness and charge regulation, features often viewed as obstacles to structural control. Here, we show that regulated…Binay P. Nayak, Prapti Kakkar, Wesley P. Korba et al.·Aug 4, 2026SaveLearn
Optical properties of Ag, Au, and Cu from first principlesWe present a comprehensive framework for investigating the optical response of metals from first principles that combines density functional theory, many-body perturbation theory, and efficient…Xiao Zhang, Emmanouil Kioupakis·Aug 4, 2026SaveLearn
Why Ammoniated Lithium Borohydrides Liquefy and Resolidify?Ammonia (NH3) absorption drives LiBH4\!·\!xNH3 through a re-entrant ``solid--liquid--solid'' transition: LiBH4\!·\!NH3 is a well-defined solid…Qian Wang, Zixin Xu, Ryuhei Sato et al.·Aug 4, 2026SaveLearn
Citrine Informatics: Chemical & Materials Development PlatformToday the Citrine Platform regularly powers data-driven materials discovery across industries, having moved beyond one-off demonstrations into routine industrial practice. Getting there required…Maxwell C. Venetos, Steven J. Brown, Kenneth Kroenlein et al.·Aug 4, 2026SaveLearn
Non-equilibrium Effects in Vibrational Modes Pumped by Inelastic TunnelingThe properties of strongly correlated electron materials exhibit a surprising sensitivity to small lattice distortions, providing an opportunity for their tuning by selective distortion driving,…Chi Ming Yim, Owain T. Beynon, Seunghyun Khim et al.·Aug 4, 2026SaveLearn
Polytype-Dependent Upconversion Photoluminescence in 3R-MoS2Ferroelectric van der Waals materials offer switchable polarization states, yet optical readout of their stacking configurations remains challenging. Here, building on the resonant exciton-exciton…Omri Meron, Idan Kizel, Dror Hershkovitz et al.·Aug 4, 2026SaveLearn
Electrically Controllable Flat Band in Two-Dimensional Electron Gases under Nonuniform Magnetic FieldsFlat bands underlie a diverse range of quantum phenomena, from strongly correlated phases to superconductivity. We theoretically establish that a two-dimensional electron gas under a linear…You-Ting Huang, Chao-Cheng Kaun, Ching-Hao Chang·Aug 4, 2026SaveLearn
First-principles screening of materials with extreme effective massesThe effective mass of charge carriers is a fundamental descriptor of the electronic structure of materials, and can be used to assess performance in electronics applications, or to screen for…Szymon Błazucki, Junfeng Qiao, Aleksandr Poliukhin et al.·Aug 4, 2026SaveLearn
Advances in Phonons: From Band Topology to Phonon ChiralityPhonons, the quantized collective vibrations of a crystal lattice, are among the most fundamental bosonic excitations in condensed matter systems. They govern thermal transport, mediate…Tiantian Zhang, Yizhou Liu, Hu Miao et al.·Aug 4, 2026SaveLearn
Symmetry-Guided Computational Screening of Two-Dimensional Altermagnets with ab initio Hubbard CorrectionsAltermagnets combine compensated antiferromagnetic order with momentum-dependent spin splitting, offering a promising platform for spintronic applications without macroscopic magnetization or stray…Anumita Bose, Nataliia Manko, Marco Gibertini et al.·Aug 3, 2026SaveLearn
Physics-Informed and Knowledge-Driven Generative AI for Autonomous Discovery of Porous Oxide Energy Materials: Opportunities and ChallengesThe discovery of next-generation energy-storage materials is increasingly limited by the complexity of the underlying design problem rather than by computational capability alone. Porous…Dibakar Datta·Aug 3, 2026SaveLearn
Investigation of GeSn aspect ratio trapping growth up to 8% SnAspect ratio trapping (ART) growth of germanium-tin (GeSn) is a promising approach to target important objectives on the quest towards commercialization of complementary metal-oxide-semiconductor…Hryhorii Stanchu, Quang Minh Thai, Fernando M. de Oliveira et al.·Aug 3, 2026SaveLearn
Revealing Intrinsic Anisotropy of Collective Magnetic Excitations in Twinned Crystals of a Kitaev-Heisenberg Quantum MagnetQuantum magnets with competing interactions often emerge from delicate balances among microscopic parameters, making it essential to disentangle intrinsic spin dynamics from extrinsic disorder…Naipeng Zhang, Nikolai Simonov, Mykhaylo Ozerov et al.·Aug 3, 2026SaveLearn
Gradient expansion approximation of the inhomogeneous electron-gas revisited: Higher-order correctionsIn our recently published work (our Ref. 1) we revisited the gradient expansion approximation (GEA) of the interacting electron gas, and recalculated the leading-order contribution-with respect to…Mario Benites, Angel Rosado, Efstratios Manousakis·Aug 3, 2026SaveLearn
Real-time dynamics of the two-step charge-density-wave transition in bulk 1T-TaS2The charge-density wave (CDW) of bulk 1T-TaS2 is built from Star-of-David (SoD) clusters tiling a sqrt13 x sqrt13 superlattice, and it melts through a two-step sequence accompanied by…Daeheon Kim, Jinseok Oh, Kahyeon Koh et al.·Aug 3, 2026SaveLearn
GRADAR: orientation-map-driven detection and ranking of grains for targeted two-beam electron channeling contrast imagingElectron channeling contrast imaging (ECCI) resolves individual dislocations in bulk samples, but only when the imaged grain is held in a two-beam diffraction condition to well under half a degree.…Johan Ewald Westraadt·Aug 3, 2026SaveLearn