Results 121 to 130 of about 36,928 (264)

Sliding Ferroelectricity Driven Spin‐Layertronics in Altermagnetic Multilayers

Advanced Science, EarlyView.
Integrating sliding ferroelectricity with altermagnetism enables nonvolatile electrical control of spin and layer degrees of freedom. In bilayer CuF2, interlayer translation reverses layer‐locked spin‐split bands, establishing a multifunctional “spin‐layertronic” platform.
Rui Peng, Guangxu Su, Yangyang Fan, Jiaan Li, Fanxin Liu, Yee Sin Ang   +5 more
wiley   +1 more source

Computation‐Guided Control of Excited‐State Deactivation through Modulation of Conical‐Intersection Accessibility by Donor–Acceptor Asymmetry in Bridged Stilbene AIE Luminogens

Advanced Science, EarlyView.
Donor–acceptor asymmetry modulates conical‐intersection accessibility and topology in bridged stilbenes, providing mechanistic insight into excited‐state deactivation and aggregation‐induced emission (AIE). ABSTRACT A computation‐guided investigation of asymmetric donor–acceptor bridged stilbenes reveals structure–property relationships governing ...
Takuya Tanaka, Satoshi Suzuki, Hirosato Koyanagi, Kiyoshi Miyata, Riki Iwai, Kazunobu Igawa, Ken Onda, Ben Zhong Tang, Gen‐ichi Konishi   +8 more
wiley   +1 more source

How Proton Incorporation Reshapes Lattice Dynamics In BaSnO3‐Type Proton Conductors

Advanced Science, EarlyView.
Yttrium‐doped BaSnO3 exhibits isotope‐dependent changes in its low‐energy vibrational density of states upon hydration. Comparison of dry, H2O‐, and D2O‐treated samples re‐veals mass‐dependent phonon renormalization linked to proton dynamics near oxygen va‐cancies, providing experimental insight into hydrogen‐coupled lattice excitations in proton ...
Artur Braun, Alexey Rulev, Nobumoto Nagasawa, Hongxin Wang, Tatyana Bendikov, Vladimir Pomjakushin, Martin Kunz, Yoshitaka Yoda, Qianli Chen, Stephen P. Cramer   +9 more
wiley   +1 more source

An exciting Approach to Theoretical Spectroscopy

Advanced Science, EarlyView.
ABSTRACT Theoretical spectroscopy, and more generally, electronic‐structure theory, are powerful concepts for describing the complex many‐body interactions in materials. They cover methods from ground‐state properties to lattice excitations and light‐matter interaction, including time‐resolved variants.
Martí Raya‐Moreno, Alexander Buccheri, Noah Alexy Dasch, Nasrin Farahani, Ignacio Gonzalez Oliva, Andris Gulans, Seokhyun Hong, Manoar Hossain, Hannah Kleine, Martin Kuban, Sven Lubeck, Benedikt Maurer, Pasquale Pavone, Fabian Peschel, Daria Popova‐Gorelova, Lu Qiao, Elias Richter, Santiago Rigamonti, Ronaldo Rodrigues Pela, Maximilian Schebek, Kshitij Sinha, Daniel T. Speckhard, Jan Stutz, Sebastian Tillack, Dmitry Tumakov, Jānis Užulis, Mara Voiculescu, Cecilia Vona, Mao Yang, Claudia Draxl   +29 more
wiley   +1 more source

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics

Advanced Science, EarlyView.
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai, Ri He, Junxian Liu, Liangzhi Kou   +3 more
wiley   +1 more source

The Guided Local Hamiltonian Problem for Stoquastic Hamiltonians

CoRR
12 + 7 pages; 1 figure; 1 table; v2: added a deterministic classical approximation algorithm, minor grammatical edits;
openaire   +2 more sources

Fully Programmable Slow Light Based on a Spinor Representation of Generalized Coupled‐Resonator‐Induced Transparency

Advanced Science, EarlyView.
A programmable coupled‐resonator‐induced transparency (CRIT) platform is proposed, generalizing classical electromagnetically induced transparency (EIT) via a spinor representation. By utilizing dual‐channel gauge fields and universal unitary operations, this architecture enables dynamically engineered, reconfigurable slow‐light bands on a silicon ...
Seungkyun Park, Beomjoon Chae, Hyungchul Park, Sunkyu Yu, Xianji Piao, Namkyoo Park   +5 more
wiley   +1 more source

Multiscale Modelling of the Electrocatalysis of Microenzymes: Insights Into the Performance of Microperoxidase at an Aqueous/Graphene Interface and Their Exploitation to Improve Performance

Advanced Science, EarlyView.
A novel multiscale MD/DFT framework to elucidate microenzyme adsorption and electron transfer is reported. This method reveals distinct configurations for microperoxidase‐11 on graphene and those best suited for electron transfer. Rate constants align with the limited experimental data, establishing this framework as a tool for optimizing microenzyme ...
Milan Mijajlovic, Cheng Hu, Yuhui Sun, Matthew J. Penna, Meisam V. Kiamahalleh, Wenrong Yang, Mark J. Biggs   +6 more
wiley   +1 more source

Emergent 3D Fermiology and Magnetism in an Intercalated Van der Waals System

Advanced Science, EarlyView.
An emergent three‐dimensional electronic state is uncovered in an intercalated van der Waals system. A spin‐polarized intercalant‐host hybridized band crossing the Fermi level provides an itinerant channel for interlayer exchange, highlighting how electronic dispersion governs magnetic dimensionality.
Luigi Camerano, Emanuel A. Martínez, Victor Porée, Laura Martella, Dario Mastrippolito, Debora Pierucci, Franco D'Orazio, Polina M. Sheverdyaeva, Paolo Moras, Enrico Della Valle, Tianlun Yu, Moritz Hoesch, Craig M. Polley, Thiagarajan Balasubramanian, Alessandro Nicolaou, Luca Ottaviano, Vladimir N. Strocov, Gianni Profeta, Federico Bisti   +18 more
wiley   +1 more source

Plaid‐Like Spin Splitting and Chirality of Magnon Bands in Antiferromagnetic MnTe2

Advanced Science, EarlyView.
Helicity‐ and angle‐resolved Raman spectroscopy reveals chiral magnons in the non‐coplanar antiferromagnet MnTe 2. Combined with first‐principles calculations and spin‐wave theory, the results establish its altermagnetic character through circular Raman dichroism, reduced rotational symmetry, and a distinctive plaid‐like momentum‐space magnon spin ...
Dirk Wulferding, Daehyeon An, Jiwon Choi, Dongmin Moon, Youngsu Choi, Sivasakthi Kuppusamy, Sritharan Krishnamoorthi, Raman Sankar, Myung Joon Han, Se Kwon Kim, Kwang‐Yong Choi   +10 more
wiley   +1 more source