Article
Materials Science, Multidisciplinary
Francesco Ferrari, Roser Valenti, Federico Becca
Summary: The existence and stability of spin-liquid phases are key topics in the field of frustrated magnetism, with recent investigations suggesting their possible appearance in Heisenberg-like models on frustrated lattices. The effect of spin-phonon coupling on frustrated magnetism models and the stability of gapless spin liquids under small perturbations are important research areas. The results demonstrate the potential realization of gapless spin liquids in real materials, highlighting the importance of understanding the interaction between spins and phonons in frustrated magnetism systems.
Article
Chemistry, Multidisciplinary
Axel Olesund, Jessica Johnsson, Fredrik Edhborg, Shima Ghasemi, Kasper Moth-Poulsen, Bo Albinsson
Summary: This study presents a visible-to-UV triplet-triplet annihilation photon upconversion (TTA-UC) system with high quantum yield and proposes a new method to determine the annihilation rate constant. These results are of great significance for driving high-energy photochemical reactions.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Physics, Multidisciplinary
Matthew Rogers, Alistair Walton, Machiel G. Flokstra, Fatma Al Ma'Mari, Rhea Stewart, Stephen L. Lee, Thomas Prokscha, Andrew J. Caruana, Christian J. Kinane, Sean Langridge, Harry Bradshaw, Timothy Moorsom, Mannan Ali, Gavin Burnell, Bryan J. Hickey, Oscar Cespedes
Summary: The combination of magnetic molecules with a metallic substrate allows for the manipulation of molecular spin properties and potential application in low-power information storage devices. Research demonstrates the feasibility of achieving spin-ordering and superconducting properties at the metallo-molecular interface, enabling lower energy spin transfer and magnetic switching in quantum computing and information storage. The results showcase the potential of metallo-molecular interfaces for singlet to triplet Cooper pair conversion, offering a new capability for generating and controlling the diffusion of spin polarized dissipationless currents.
COMMUNICATIONS PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Gabriel Martinez-Carracedo, Laszlo Oroszlany, Amador Garcia-Fuente, Laszlo Szunyogh, Jaime Ferrer
Summary: Recently, the magnetic response of synthesized graphene triangulene chains was analyzed using scanning tunneling microscopy methods. Building on this study, the exchange bilinear and biquadratic constants of the chains were determined through calculations of two-spin rotations. The analysis focused on open-ended, odd-numbered chains that exhibited a triplet ground state formed by paired edge states. Three experimental approaches to trigger and control a singlet-triplet spin transition were proposed, including two methods based on mechanical distortion and one method based on the application of an electric field.
Article
Materials Science, Multidisciplinary
Chenyue Wen, Xingchuan Zhu, Ning Hao, Huaiming Guo, Shiping Feng
Summary: This study investigates the unconventional ferromagnetism and superconductivity in the imbalanced kagome-lattice Hubbard model using mean-field theory and determinant quantum Monte Carlo method. It reveals the intrinsic presence of spin-z ferromagnetic order and its interaction-induced enhancement and destruction. The development of xy-plane ferromagnetism is found to be above a critical interaction, and its possible superconducting state exhibits a triplet f-wave pairing symmetry. These findings provide important insights into the interplay between electronic correlations and geometry frustrations on the kagome lattice.
Article
Multidisciplinary Sciences
Brandon K. Rugg, Kori E. Smyser, Brian Fluegel, Christopher H. Chang, Karl J. Thorley, Sean Parkin, John E. Anthony, Joel D. Eaves, Justin C. Johnson
Summary: The photo-driven process of singlet fission can generate coupled triplet pairs with intriguing properties. Among the sublevels, the quintet is particularly interesting for quantum information. Previous theoretical work has shown that this sublevel can be selectively populated under certain conditions.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Materials Science, Multidisciplinary
Fei Chen, Rafael M. Fernandes, Morten H. Christensen
Summary: By calculating the dynamic spin susceptibility of 3D superconductors, we find that the appearance of a spin resonance mode is determined by the topology of hot lines connected by the magnetic wave vector on the Fermi surface, which has implications for the study of unconventional superconductors.
Review
Chemistry, Inorganic & Nuclear
Rafael Calvo, Rosana P. Sartoris, Otaciro R. Nascimento, Matus Sedivy, Antonin Sojka, Petr Neugebauer, Vinicius T. Santana
Summary: In this work, recent advances in the interpretation of EPR spectral changes in dimeric spin arrays with weak inter-dimeric couplings are collected. Experimental results are explained by proposing a spin model with a microscopic flip-flop mechanism involving the absorption and emission of two simultaneous spin-one excitations. The model considers the role of energy conservation in the process and allows for analysis and simulation of the EPR spectra features.
COORDINATION CHEMISTRY REVIEWS
(2023)
Article
Physics, Applied
Caixia Zhang, Lixuan Kan, Juqian Li, Haomiao Yu, Jinpeng Li, Kai Wang
Summary: A desirable driving force for efficient dissociation of exciton in organic bulk heterojunction photovoltaic system is greater than 0.300eV, but some nonfullerene acceptors (NFAs) based solar cells face challenges in meeting this criterion. Experimental results show that a significant singlet generation at charge transfer states can lead to photocurrent production even with a negligible driving force.
APPLIED PHYSICS LETTERS
(2021)
Article
Physics, Multidisciplinary
Taek Sun Jung, Xianghan Xu, Jaewook Kim, Beom Hyun Kim, Hyun Jun Shin, Young Jai Choi, Eun-Gook Moon, Sang-Wook Cheong, Jae Hoon Kim
Summary: Previous research has suggested that TbInO3 exhibits unconventional quantum behavior at very low temperatures. However, new experiments using terahertz time-domain spectroscopy show that these exotic effects can persist at room temperature. This challenges the common belief that such phenomena can only be observed at low temperatures. The findings confirm the presence of emergent carriers within the Mott charge gap of TbInO3, indicating the potential for probing and manipulating highly entangled quantum many-body states even at room temperature.
Article
Materials Science, Multidisciplinary
Peisen Yuan, Xiaomin Guo, Dongge Ma
Summary: Organic semiconductors have demonstrated spin-related magnetoconductance even without magnetic elements, leading to the emerging field of organic spintronics. Manipulating the sign of magnetoconductance is crucial for practical applications. In this study, we report the manipulation of magnetoconductance signs in organic photodiodes based on ground-state and excited-state charge-transfer interfaces. By adjusting the charge-transfer process, a low-field controlled current inverter can be achieved. Our work highlights the importance of organic charge-transfer states in controlling spin-related magneto-optoelectronic properties in organic semiconductors.
ACS MATERIALS LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Peisen Yuan, Xiaomin Guo, Dongge Ma
Summary: Organic semiconductors exhibit spin-related magnetoconductance even without magnetic elements, leading to the emerging field of organic spintronics. Manipulation of the magnetoconductance sign is shown in an organic photodiode based on ground-state and excited-state charge-transfer interfaces. The ground-state charge-transfer interface presents negative magnetoconductance due to reverse intersystem crossing, allowing for the realization of a low-field controlled current inverter.
ACS MATERIALS LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Ling Peng, Yumiao Huo, Lei Hua, Jichen Lv, Yuchao Liu, Shian Ying, Shouke Yan
Summary: In this study, a novel triazole-based hybrid local and charge transfer fluorophore, PI-TAZ-tbuCZ, was successfully designed and synthesized, showing high thermal stability and short-wavelength emission performance.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Physics, Condensed Matter
Ekta Bhatia, Zainab Hussain, V. Raghavendra Reddy, Zoe H. Barber, Kartik Senapati
Summary: This report investigates the additional resistance caused by scattering of electrons passing through ferromagnetic domain walls, as well as the possible spin-triplet supercurrent conversion effect in these domain walls. Experimental results indicate that in the superconducting state, the transport current may induce spin-triplet correlations in the ferromagnetic domain walls.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2021)
Article
Physics, Multidisciplinary
Alexander Mitrofanov, Sergei Urazhdin
Summary: Researchers have simulated scattering of electrons on a chain of antiferromagnetically coupled quantum Heisenberg spins to analyze spin-transfer effects that classical models of magnetism cannot describe. The simulations show efficient excitation of dynamical states that are prohibited by semiclassical symmetries, such as the generation of multiple magnetic excitation quanta by a single electron. Quantum interference of spin wave functions allows for the generation of magnetization dynamics with amplitudes exceeding the transferred magnetic moment, with the excitation efficiency mainly governed by energy transfer rather than electron spin polarization. Nonclassical spin transfer may enable effective electronic control of antiferromagnets without the limitations of classical constraints.
PHYSICAL REVIEW LETTERS
(2021)
Article
Materials Science, Multidisciplinary
Naresh C. Osti, Xiaobo Lin, Wei Zhao, Xuehang Wang, Chaofan Chen, Yu Gao, Takeshi Torita, Alexander Kolesnikov, Peter T. Cummings, Yury Gogotsi, Eugene Mamontov
Summary: In this study, the impact of 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [EmimTFSI], ionic liquid and acetonitrile (ACN) concentrations on the electrochemical performance and ion dynamics of Ti3C2T (x) MXene supercapacitor was investigated. The results indicate that an optimal ACN concentration allows for more cations to attach to the MXene electrode surface, resulting in improved electrochemical performance. This increased capacitance is also associated with enhanced microscopic dynamics of the cation away from the pore wall. These findings provide guidance for optimizing the performance of MXene-based supercapacitors using organic solvents-ionic liquid-based electrolyte systems.
Article
Multidisciplinary Sciences
Zhendong Jin, Yangmu Li, Zhigang Hu, Biaoyan Hu, Yiran Liu, Kazuki Iida, Kazuya Kamazawa, Matthew B. Stone, Alexander I. Kolesnikov, Douglas L. Abernathy, Xiangyu Zhang, Haiyang Chen, Yandong Wang, Chen Fang, Biao Wu, Igor A. Zaliznyak, John M. Tranquada, Yuan Li
Summary: A large body of knowledge about magnetism is obtained from models of interacting spins on magnetic ions. However, proposals beyond the ionic picture are rare and rarely verified. In this study, using inelastic neutron scattering, it is found that the fundamental magnetic units in the near-ferromagnet MnSi are extended molecular orbitals consisting of three Mn atoms, contrasting the ionic picture. This discovery provides important insights into both MnSi and a broad range of magnetic quantum materials.
Article
Physics, Multidisciplinary
Brenden R. Ortiz, Paul M. Sarte, Alon Hendler Avidor, Aurland Hay, Eric Kenney, Alexander I. Kolesnikov, Daniel M. Pajerowski, Adam A. Aczel, Keith M. Taddei, Craig M. Brown, Chennan Wang, Michael J. Graf, Ram Seshadri, Leon Balents, Stephen D. Wilson
Summary: Evidence has been found for a spin liquid state in the triangular-lattice material NaRuO2, where the cooperative interplay of spin-orbit coupling and correlation effects produce a fluctuating magnetic ground state. Low-temperature spin excitations in NaRuO2 generate a metal-like term in the specific heat and a continuum of excitations in neutron scattering, resembling spin liquid states found in triangular-lattice organic magnets. Further cooling leads to a crossover into a highly disordered spin state with persistent fluctuations.
Article
Physics, Multidisciplinary
Xiaokun Teng, Ji Seop Oh, Hengxin Tan, Lebing Chen, Jianwei Huang, Bin Gao, Jia-Xin Yin, Jiun-Haw Chu, Makoto Hashimoto, Donghui Lu, Chris Jozwiak, Aaron Bostwick, Eli Rotenberg, Garrett E. Granroth, Binghai Yan, Robert J. Birgeneau, Pengcheng Dai, Ming Yi
Summary: Electron correlations in quantum materials can lead to emergent orders, such as the topological states found in kagome lattice materials. These emergent orders are a result of the specific electronic band structure associated with the kagome lattice geometry. Various correlated electronic phases, including magnetism and superconductivity, have been discovered in kagome lattice materials. In this study, the authors observe all three electronic signatures of the kagome lattice in FeGe using angle-resolved photoemission spectroscopy and provide evidence for the interplay between magnetism and charge order in this material.
Article
Chemistry, Physical
Alexander I. Kolesnikov, Aravind Krishnamoorthy, Ken-ichi Nomura, Zhongqing Wu, Douglas L. Abernathy, Ashfia Huq, Garrett E. Granroth, Karl O. Christe, Ralf Haiges, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta
Summary: The study investigates the structures, properties, and phonon density of iodine oxides I2Oy, providing insights into their potential applications in agent defeat materials.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Multidisciplinary Sciences
Arun Ramanathan, Jensen Kaplan, Dumitru-Claudiu Sergentu, Jacob A. Branson, Mykhaylo Ozerov, Alexander I. Kolesnikov, Stefan G. Minasian, Jochen Autschbach, John W. Freeland, Zhigang Jiang, Martin Mourigal, Henry S. La Pierre
Summary: This study reveals the failure of the traditional ionic model in tetravalent praseodymium ions, as well as the unusual participation of 4f orbitals in bonding and the anomalous hybridization of the 4f(1) configuration with ligand valence electrons. The competition between crystal-field and spin-orbit-coupling interactions alters the spin-orbital magnetism of tetravalent praseodymium, making it resemble that of high-valent actinides.
NATURE COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
T. R. Prisk, R. T. Azuah, D. L. Abernathy, G. E. Granroth, T. E. Sherline, P. E. Sokol, J. Hu, M. Boninsegni
Summary: We conducted an inelastic neutron scattering study of liquid and solid hydrogen using the wide Angular Range Chopper Spectrometer at Oak Ridge National Laboratory. Our findings show that the molecular mean-squared displacement increases with temperature near the liquid-solid phase transition, indicating the importance of thermal and quantum effects. Additionally, we observed a significant drop in kinetic energy upon melting of the crystals, which can be explained by the large increase in molar volume and Heisenberg indeterminacy principle. The results were compared with quantum Monte Carlo simulations based on different model potentials, and good agreement was found with the Silvera-Goldman and Buck potentials.
Article
Materials Science, Multidisciplinary
J. P. Clancy, H. Gretarsson, A. Lupascu, J. A. Sears, Z. Nie, M. H. Upton, Jungho Kim, Z. Islam, M. Uchida, D. G. Schlom, K. M. Shen, Young -June Kim
Summary: We investigated the magnetic and spin-orbit excitations of ultrathin epitaxial films of Ba2IrO4 using resonant inelastic x-ray scattering, and compared them with their sister compound Sr2IrO4. Due to the 180 degrees Ir-O-Ir bond, the magnon and spin orbiton in Ba2IrO4 have a significantly larger bandwidth, making it challenging to describe these excitations as separate quasiparticles. Both types of excitations are sensitive to epitaxial strain. Additionally, the d-level inversion observed in Sr2IrO4 is not present in Ba2IrO4, as predicted by recent theoretical studies. Our results highlight the substantial differences in the magnetic properties of Ba2IrO4 and Sr2IrO4, suggesting a need for a careful examination of these materials considering electron itinerancy.
Correction
Materials Science, Multidisciplinary
A. Scheie, Pontus Laurell, A. M. Samarakoon, B. Lake, S. E. Nagler, G. E. Granroth, S. Okamoto, G. Alvarez, D. A. Tennant
Article
Chemistry, Physical
Sajan Kumar, Mayanak K. Gupta, Ranjan Mittal, Santhoshkumar Sundaramoorthy, Amitava Choudhury, Naresh C. Osti, Alexander I. Kolesnikov, Matthew B. Stone, Yongqiang Cheng, Samrath L. Chaplot
Summary: This study investigates the atomic-level features of diffusion in Na3ZnGaX4 (X = S, Se) compounds using microscopic techniques. The study reveals that these compounds exhibit significant ionic conductivity and the structural topology and shallow potential energy barrier pathways of Na2 sites play a critical role in diffusion.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Materials Science, Multidisciplinary
E. M. Smith, J. Dudemaine, B. Placke, R. Schaefer, D. R. Yahne, T. Delazzer, A. Fitterman, J. Beare, J. Gaudet, C. R. C. Buhariwalla, A. Podlesnyak, Guangyong Xu, J. P. Clancy, R. Movshovich, G. M. Luke, K. A. Ross, R. Moessner, O. Benton, A. D. Bianchi, B. D. Gaulin
Summary: The pyrochlore magnet Ce2Zr2O7 has attracted attention as a quantum spin ice candidate due to its dipolar-octupolar nature, and heat capacity and neutron scattering measurements have revealed its complex magnetic properties.
Proceedings Paper
Computer Science, Artificial Intelligence
Gregory R. Watson, Gregory Cage, Jon Fortney, Garrett E. Granroth, Harry Hughes, Thomas Maier, Marshall McDonnell, Anibal Ramirez-Cuesta, Robert Smith, Sergey Yakubov, Wenduo Zhou
Summary: Data analysis for neutron scattering experiments is often manual and hindered by limited access to computational resources and data. Calvera platform aims to address these challenges by providing integrated services for data processing, computation, and visualization, as well as security and data history tracking.
ACCELERATING SCIENCE AND ENGINEERING DISCOVERIES THROUGH INTEGRATED RESEARCH INFRASTRUCTURE FOR EXPERIMENT, BIG DATA, MODELING AND SIMULATION, SMC 202
(2022)
Article
Materials Science, Multidisciplinary
Xiaojian Bai, Frank Lechermann, Yaohua Liu, Yongqiang Cheng, Alexander I. Kolesnikov, Feng Ye, Travis J. Williams, Songxue Chi, Tao Hong, Garrett E. Granroth, Andrew F. May, Stuart Calder
Summary: Fe3-xGeTe2 is a layered magnetic van der Waals material with multi-orbital character, supporting a rare coexistence of local and itinerant physics.
Article
Physics, Multidisciplinary
Qianli Ma, Evan M. Smith, Zachary W. Cronkwright, Mirela Dragomir, Gabrielle Mitchell, Alexander Kolesnikov, Matthew B. Stone, Bruce D. Gaulin
Summary: In this study, neutron spectroscopic measurements were carried out on single crystals of La1.6-xNd0.4SrxCuO4. The results showed similar dynamic spectral weight for the parallel spin stripe fluctuations within the energy range of 5 to 33 meV at different hole-doping levels. The persistent presence of the parallel spin stripe fluctuations across the range of doping studied suggests a similarity to a quantum spin glass, random t-J model, which describes strong local correlations in cuprates.
PHYSICAL REVIEW RESEARCH
(2022)
Article
Multidisciplinary Sciences
Utsab R. Shrestha, Eugene Mamontov, Hugh M. O'Neill, Qiu Zhang, Alexander Kolesnikov, Xiangqiang Chu
Summary: In this study, we investigated the temperature and hydration dependence of collective excitations in green fluorescent protein (GFP) using inelastic neutron scattering. The results provide evidence that these excitations can be used as an indicator of flexibility/softness and may be associated with the protein's activity. Additionally, we found that hydration water interferes with the propagation of phonons in GFP, enhancing its structural rigidity and stability.
