Article
Chemistry, Multidisciplinary
Suhyeon Kim, Sangho Yoon, Hyobin Ahn, Gangtae Jin, Hyesun Kim, Moon-Ho Jo, Changgu Lee, Jonghwan Kim, Sunmin Ryu
Summary: This study reports the dual-band near-infrared photoluminescence of CrPS4 crystals and reveals that its emission splits into fluorescence and phosphorescence depending on thickness, temperature, and defect density. The bifurcation of the emission is controlled by activated reverse intersystem crossing from low- to high-spin states, and the transition barrier becomes lower for thinner 2D samples due to surface-localized defects. These findings have important implications for realizing groundbreaking magneto-optic functions and devices in coordinated metals' 2D solids.
Article
Chemistry, Physical
Junqing Xu, Yuan Ping
Summary: Understanding the effects of different substrates on the spin dynamics and relaxation is crucial for spin-based information technologies, particularly for materials with strong spin-orbit coupling (SOC). In this study, we performed simulations to investigate the spin lifetimes (tau(s)) of supported/free-standing germanene, a 2D Dirac material with strong SOC, using first-principles real-time density-matrix dynamics with SOC, electron-phonon, and electron-impurity scattering. Surprisingly, we found that the substrate effects on tau(s) can differ by two orders of magnitude, and are closely related to the substrate-induced modifications of the SOC-field anisotropy and spinflip scattering.
NPJ COMPUTATIONAL MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Martin Ulaga, Jernej Mravlje, Jure Kokalj
Summary: The study reveals that spin diffusion in the Hubbard model exhibits a non-monotonic dependence on temperature, different from charge diffusion, due to the progressive liberation of charges contributing to spin transport. Moving away from half-filling and zero magnetization increases spin diffusion, but not enough to reconcile the differences between model calculations and recent measurements on cold atoms.
Article
Optics
Jan Philipp Klinger, Martin Gaerttner
Summary: This study investigates excitation transport in a two-dimensional system of randomly assembled spins with power-law hopping, which can be realized in cold atom quantum simulators with Rydberg atoms. The research finds that at strong disorder, localized eigenstates with power-law tails are predominantly observed, but as disorder weakens, seemingly multifractal states appear. In the infinite-size limit, all states eventually become localized.
Article
Chemistry, Multidisciplinary
Tugbey Kocabas, Murat Keceli, Alvaro Vazquez-Mayagoitia, Cem Sevik
Summary: Two-dimensional materials (2DMs) are highly sought after due to their extreme flexibility and superior thermal properties. This study presents a systematic method to develop Gaussian approximation potentials for selected 2DMs and validates the accuracy of the potentials through various calculations. The results demonstrate that these potentials provide an accurate description of interatomic interactions and are successful in high-temperature simulations.
Article
Physics, Fluids & Plasmas
Licun Fu, Lijin Wang
Summary: In this study, computer simulations of 2D glasses were performed to investigate the influence of anharmonicity on sound attenuation. The results showed that the influence of anharmonicity on sound attenuation in 2D glasses is the same as that in 3D glasses, indicating that this effect is independent of spatial dimension.
Article
Materials Science, Multidisciplinary
Pavel E. Dolgirev, Shubhayu Chatterjee, Ilya Esterlis, Alexander A. Zibrov, Mikhail D. Lukin, Norman Y. Yao, Eugene Demler
Summary: We propose the use of isolated single-spin qubits as a nanoscale magnetometry probe for superconductivity in two-dimensional materials. By studying the magnetic field noise due to current and spin fluctuations, we can obtain useful information about the transition to a superconducting phase and the pairing symmetry of the superconductor. Surprisingly, the dominant contribution to the magnetic noise at low temperatures comes from longitudinal current fluctuations, allowing us to probe collective modes such as monolayer plasmons and bilayer Josephson plasmons. Additionally, we can characterize the noise due to spin fluctuations to probe the spin structure of the pairing wave function. Our results provide a noninvasive approach to studying the rich physics of two-dimensional superconductors.
Article
Chemistry, Multidisciplinary
Mehmet Emin Kilic, Kwang-Ryeol Lee
Summary: A new two-dimensional boron nitride structure, th-BN, with perfectly ordered arrangements of tetragonal and hexagonal rings is predicted to be energetically, dynamically, thermally, and mechanically stable. th-BN exhibits exceptional mechanical properties such as high in-plane stiffness and tunable Poisson's ratio. It also shows high optical absorption in the ultraviolet region and can be stacked into different configurations with exotic electronic properties, making it suitable for high-performance optoelectronic device applications.
Article
Thermodynamics
O. Farzadian, F. Yousefi, C. Spitas, K. Kostas
Summary: In this study, non-equilibrium molecular dynamics simulations were used to investigate phonon heat transport in a two-dimensional superlattice with equal-sized domains of graphene and phagraphene. It was found that the minimum thermal conductivity occurred at a superlattice period of 12.85 nm for ribbons, with a value of 155 W/mK. The minimum thermal conductivity of graphene-phagraphene superlattices is approximately 5% of pure graphene thermal conductivity and 50% of phagraphene thermal conductivity.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Chemistry, Physical
Jiajia Chen, Kai Wu, Wei Hu, Jinlong Yang
Summary: Research shows that 2D polar perovskites have large Rashba constants and strong electric field responses, making them suitable for use in spin FETs, enabling a short spin channel length of tens of nanometers to preserve spin coherence.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Physical
Xiaomin Xu, Xiaohu Wang, Pu Chang, Xiaoyu Chen, Lixiu Guan, Junguang Tao
Summary: In this work, the spin-phonon coupling effect in the two-dimensional magnetic semiconductor CrSBr is investigated using density-functional theory. It is found that the phonon vibrations are strongly influenced by the spin ordering, and the SPC constant in CrSBr is one order of magnitude larger than that in most other 2D materials. Furthermore, lattice deformation can tune the Curie temperature of the system and enhance the thermal conductivity.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Inorganic & Nuclear
Ya-Nan Dong, Zhi-Kun Liu, Jin-Peng Xue, Zi-Shuo Yao, Jun Tao
Summary: A coordination polymer with a two-dimensional grid-like structure was found to exhibit unexpectedly large hysteresis loop and temperature-induced excited spin-state trapping effect.
INORGANIC CHEMISTRY
(2022)
Article
Materials Science, Multidisciplinary
Xilong Xu, Zhonglin He, Ying Dai, Baibiao Huang, Yandong Ma
Summary: The study introduces the concept of a single-valley state in a two-dimensional antiferromagnetic lattice, predicting its existence in single-layer BiFeO3 through tight-binding model analysis and first-principles calculations. This enriches the physics of two-dimensional valleytronics and offers a promising avenue to observe strong valley-polarized phenomena.
Article
Materials Science, Multidisciplinary
Zhonglin He, Rui Peng, Xiangyu Feng, Xilong Xu, Ying Dai, Baibiao Huang, Yandong Ma
Summary: In this study, single-layer Cr2Se3 is identified as a promising 2D valleytronic semiconductor through first-principles calculations and model analysis, exhibiting characteristics such as valley features and out-of-plane magnetization. The on-off switching of valley polarization is demonstrated by utilizing strain and ferroelectric substrate. This research provides a potential candidate for realizing and manipulating valley and spin physics.
Article
Physics, Fluids & Plasmas
Alessandra Chioquetta, Emmanuel Pereira, Gabriel T. Landi, Raphael C. Drumond
Summary: In this study, the role of geometrical asymmetry in spin rectification in two-dimensional quantum spin chains was investigated. It was found that even in the absence of external magnetic fields, spin current rectification can be induced by geometric shape in the XX model. This suggests that the phenomenon of rectification due to geometry may be common in quantum spin systems.
Article
Chemistry, Multidisciplinary
Sean M. Walker, Tarun Patel, Junichi Okamoto, Deler Langenberg, E. Annelise Bergeron, Jingjing Gao, Xuan Luo, Wenjian Lu, Yuping Sun, Adam W. Tsen, Jonathan Baugh
Summary: This study investigates the properties of ultrathin 1T-TaS2 and reveals the presence of nonequilibrium phases consisting of intertwined NC-like and C-like domains. The relationship between electronic inhomogeneity and bulk resistivity in ultrathin 1T-TaS2 is also explored.
Article
Chemistry, Physical
Wenhao Zhang, Degong Ding, Jingjing Gao, Kunliang Bu, Zongxiu Wu, Li Wang, Fangsen Li, Wei Wang, Xuan Luo, Wenjian Lu, Chuanhong Jin, Yuping Sun, Yi Yin
Summary: Intercalation is an effective method to modify physical properties and induce novel electronic states of transition metal dichalcogenide materials. In this study, the successful synthesis of copper-intercalated 1T-TaS2 is reported, and the structural and electronic modifications are characterized using various techniques. The intercalated copper atom suppresses the commensurate charge density wave phase and two specific electronic modulations are discovered in the near-commensurate charge density wave phase.
Article
Chemistry, Multidisciplinary
Yanan Huang, Jianguo Si, Shuai Lin, Hongyan Lv, Wenhai Song, Ranran Zhang, Xuan Luo, Wenjian Lu, Xuebin Zhu, Yuping Sun
Summary: This study reports the colossal 3D electrical anisotropy of layered MAB-phase MoAlB single crystal. Through experimental and theoretical investigations, it is demonstrated that the crystal structure, chemical bond, phonon vibration, and electronic structure of MoAlB result in its significant electrical conductivity anisotropy. This work provides valuable insights for the design of functional electronic devices and the synthesis of new 2D materials.
Article
Materials Science, Multidisciplinary
Wenhao Zhang, Jingjing Gao, Li Cheng, Kunliang Bu, Zongxiu Wu, Ying Fei, Yuan Zheng, Li Wang, Fangsen Li, Xuan Luo, Zheng Liu, Yuping Sun, Yi Yin
Summary: The electronic evolution of Ti-doped 1T-TaS2 is studied using scanning tunneling microscopy (STM), revealing the emergence of a clover-shaped orbital texture and a transition from insulator to metal. Trapped electrons are directly visualized in dI/dV conductance maps, providing insights into the electronic state evolution in doped strong-correlated systems.
NPJ QUANTUM MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Tianyang Wang, Xuan Luo, Jingjing Gao, Zhongzhu Jiang, Wei Wang, Xingcai Yang, Nan Zhou, Xiaoguang Zhu, Lei Zhang, Wenjian Lu, Wenhai Song, Hongyan Lv, Yuping Sun
Summary: Fe-intercalated T-d-FexMoTe2 single crystals (0 < x < 0.15) were successfully grown and it was found that the phase transition temperature T-S is gradually suppressed with increasing x. Theoretical calculation suggests that the increased energy of the T-d phase, enhanced transition barrier, and more occupied bands in 1T' phase is responsible for the suppression in T-S. In addition, a rho(alpha)-lnT behavior induced by Kondo effect is observed with x >= 0.08, due to the coupling between conduction carriers and the local magnetic moments of intercalated Fe atoms. A spin-glass transition occurs at approximate to 10 K for T-d-Fe0.15MoTe2. The calculated band structure of T-d-Fe0.25MoTe2 shows that two flat bands exist near the Fermi level, which are mainly contributed by the d(yz) and dx2-y2 orbitals of the Fe atoms. The electronic phase diagram of T-d-FexMoTe2 is established for the first time in this work.
ADVANCED MATERIALS
(2023)
Article
Physics, Applied
Linlin An, Jianguo Si, Xiangde Zhu, Chuanying Xi, Nanyang Xu, Yuanjun Yang, Lan Wang, Wei Ning, Wenjian Lu, Mingliang Tian
Summary: We report experimental studies on the angular-dependent magnetoresistance (MR) of In3Rh single crystals under high magnetic fields. The crystals exhibit large, non-saturating linear MR and remarkable quantum oscillations with multi-frequencies. Analysis of the quantum oscillations reveals the presence of three bands hosting a nontrivial Berry phase, which is supported by first-principles calculations. Our work provides a platform for exploring topological materials in indium-rich transition metal compounds.
APPLIED PHYSICS LETTERS
(2023)
Article
Physics, Multidisciplinary
Ding-Fu Shao, Yuan-Yuan Jiang, Jun Ding, Shu-Hui Zhang, Zi-An Wang, Rui-Chun Xiao, Gautam Gurung, W. J. Lu, Y. P. Sun, Evgeny Y. Tsymbal
Summary: It is demonstrated that fully compensated antiferromagnets can support Néel spin currents, which can be used to drive spin-dependent transport phenomena in antiferromagnetic tunnel junctions (AFMTJs). The study uncovers the potential of fully compensated antiferromagnets and opens a new route for efficient information writing and reading in antiferromagnetic spintronics.
PHYSICAL REVIEW LETTERS
(2023)
Article
Chemistry, Physical
Beibei Zhao, Jianqiang Feng, Lu Yu, Zhongqiu Xing, Bin Chen, Aokun Liu, Fulu Liu, Fengming Shi, Yue Zhao, Changlin Tian, Binju Wang, Xiaoqiang Huang
Summary: This study developed a biocatalytic scheme based on direct visible-light excitation of flavoprotein, which enables stereocontrolled intermolecular radical hydroarylation of alkenes by repurposing ene-reductases. Experiments and simulations demonstrated the feasibility of this method and provided an explanation for the enantioselectivity in the reaction.
Article
Materials Science, Multidisciplinary
Z. Z. Jiang, X. Liang, X. Luo, J. J. Gao, W. Wang, T. Y. Wang, X. C. Yang, X. L. Wang, L. Zhang, Y. Sun, P. Tong, J. F. Hu, W. H. Song, W. J. Lu, Y. P. Sun
Summary: The study on two-dimensional magnetic material Cr2Te3 reveals its response to external stimuli and the transition between different magnetic phases. The material undergoes a first-order phase transition from low-temperature ferromagnetic phase to antiferromagnetic phase, and a second-order phase transition between antiferromagnetic and paramagnetic phases. The material also exhibits strong spin-lattice coupling and notable negative thermal expansion and magnetostriction characteristics.
Article
Materials Science, Multidisciplinary
Ding-Fu Shao, Shu-Hui Zhang, Rui-Chun Xiao, Zi-An Wang, W. J. Lu, Y. P. Sun, Evgeny Y. Tsymbal
Summary: In this study, we demonstrate the realization of a spin-neutral tunneling anomalous Hall effect (TAHE) in an antiferromagnetic (AFM) tunnel junction driven by spin-neutral currents. We show that the symmetry mismatch between the AFM electrode and the nonmagnetic barrier with strong spin-orbit coupling (SOC) results in spin-dependent momentum filtering, generating transverse Hall currents in each electrode. This finding opens up new possibilities for research in magnetoelectronics and spintronics.
Article
Chemistry, Multidisciplinary
Aokun Liu, Jian Kuang, Yemian Zhou, An Xu, Changlin Tian, Lu Yu
Summary: An EPR-based enzymatic assay was developed for the detection of caspase-3 activity, which offers high sensitivity and specificity. This method has potential applications in protease-targeted drug screening and diagnosis of protease-associated diseases.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Li-Juan Sun, Hong Yuan, Lu Yu, Shu-Qin Gao, Ge-Bo Wen, Xiangshi Tan, Ying-Wu Lin
Summary: An artificial disulfide bond was successfully designed in myoglobin, regulating the conformation of the heme distal site and protein reactivity. This design enables myoglobin to have a structure and function similar to that of native human neuroglobin.
CHEMICAL COMMUNICATIONS
(2022)
Article
Physics, Multidisciplinary
J. Yan, Z. Z. Jiang, R. C. Xiao, W. J. Lu, W. H. Song, X. B. Zhu, X. Luo, Y. P. Sun, M. Yamashita
Summary: This study investigates the magnetotransport properties of EuIn2As2 through detailed magnetoresistance and Hall measurements, revealing anomalous Hall effect and large topological Hall effect, suggesting their origins and providing insights for realizing axion insulator states.
PHYSICAL REVIEW RESEARCH
(2022)
Article
Materials Science, Multidisciplinary
Jian-Guo Si, Wen-Jian Lu, Yu-Ping Sun, Peng-Fei Liu, Bao-Tian Wang
Summary: The origin of the charge density wave (CDW) order and the superconducting properties of CsV3Sb5 under pressure are studied using first-principles calculations. The momentum-dependent electron-phonon coupling effect is found to play an important role in the formation of CDW order, and the experimentally observed double superconducting domes can be explained by the movement of the van Hove singularity and the redistribution of the electron-phonon coupling. The main contribution to the electron-phonon coupling shifts from in-plane vibrational modes to out-of-plane modes with increasing pressure.
