Article
Materials Science, Multidisciplinary
Seungho Seong, Heejung Kim, Kyoo Kim, B. Min, Y. S. Kwon, Sang Wook Han, Byeong-Gyu Park, R. Stania, Yeonji Seo, J-S Kang
Summary: The study reveals that the CDW formation in ErTe3 is not directly contributed by Er 4 f electrons, but rather by band folding due to interlayer interaction. The observation of a twofold symmetric shadow Fermi surface in the CDW phase of ErTe3 indicates weak CDW-induced Fermi surface reconstruction. The very weak CDW reconstruction in ErTe3 is likely due to the small ionic sizes of Er ions and the reduced density of states at the Fermi level.
Article
Materials Science, Multidisciplinary
Wilhelm G. F. Krueger, Lukas Janssen
Summary: The article discusses a gapless U(1) spin liquid state with spinon Fermi pockets in two dimensions, which may be the most promising candidate to describe the exotic field-induced behavior observed in numerical simulations of the antiferromagnetic Kitaev honeycomb model.
Article
Materials Science, Multidisciplinary
Ram Prakash Pandeya, Anup Pradhan Sakhya, Sawani Datta, Tanusree Saha, Giovanni De Ninno, Rajib Mondal, C. Schlueter, A. Gloskovskii, Paolo Moras, Matteo Jugovac, Carlo Carbone, A. Thamizhavel, Kalobaran Maiti
Summary: The study reveals the presence of coupling among conduction electrons in the core level spectra of the superconductor CaFe1.9Co0.1As2, with features evolving with cooling. This highlights the importance of such interactions in Fe-based systems and their relevance to unconventional superconductivity.
Article
Materials Science, Multidisciplinary
A. Chronister, M. Zingl, A. Pustogow, Yongkang Luo, D. A. Sokolov, F. Jerzembeck, N. Kikugawa, C. W. Hicks, J. Mravlje, E. D. Bauer, J. D. Thompson, A. P. Mackenzie, A. Georges, S. E. Brown
Summary: In this study, we performed nuclear magnetic resonance measurements of the oxygen-17 Knight shifts for Sr2RuO4 under uniaxial stress along the [100] direction. The resulting strain led to significant changes in the temperature and magnetic field dependence of the magnetic response. A quasiparticle description based on density-functional theory calculations, incorporating many-body renormalizations, successfully reproduced the experimental results and emphasized the importance of a van-Hove singularity. The strain was found to tune the Fermi-liquid coherence scale, driving it to lower values as the associated Lifshitz transition was approached.
NPJ QUANTUM MATERIALS
(2022)
Article
Physics, Multidisciplinary
Matteo Rossi, Motoki Osada, Jaewon Choi, Stefano Agrestini, Daniel Jost, Yonghun Lee, Haiyu Lu, Bai Yang Wang, Kyuho Lee, Abhishek Nag, Yi-De Chuang, Cheng-Tai Kuo, Sang-Jun Lee, Brian Moritz, Thomas P. Devereaux, Zhi-Xun Shen, Jun-Sik Lee, Ke-Jin Zhou, Harold Y. Hwang, Wei-Sheng Lee
Summary: A charge ordering state has been observed in nickelate superconductors, which is distinct from other observed ordered states. The results suggest that strong electronic correlations may be responsible for this ordered state, and the interplay between charge order, antiferromagnetic fluctuations, and superconductivity is an important topic in nickel-based superconductors.
Article
Materials Science, Multidisciplinary
Ian Osborne, Thereza Paiva, Nandini Trivedi
Summary: By analyzing the single-particle spectral function for the Fermi Hubbard model, it was found that the Fermi surface undergoes a transition from a large Fermi surface to a smaller one near the Mott insulator. This non-Fermi liquid phase violates the Luttinger count and experiments have shown consistency with these numerical results.
Article
Multidisciplinary Sciences
Seungjun Lee, Dongjea Seo, Sang Hyun Park, Nezhueytl Izquierdo, Eng Hock Lee, Rehan Younas, Guanyu Zhou, Milan Palei, Anthony J. Hoffman, Min Seok Jang, Christopher L. Hinkle, Steven J. Koester, Tony Low
Summary: This study demonstrates near-perfect light absorbers (NPLAs) using two or three uniform atomic layers of transition metal dichalcogenides (TMDs), by taking advantage of the exceptional band nesting effect in TMDs and a Salisbury screen geometry. The NPLAs achieved absorbance values of at least 99% without requiring complex nanolithography, making them suitable for practical applications on large-area platforms.
NATURE COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Ting-Yun Hsieh, Babu Baijnath Prasad, Guang-Yu Guo
Summary: This paper investigates the intrinsic spin Hall effect (SHE) and spin Nernst effect (SNE) in the CoSi family of transition metal monosilicides, and discovers their unconventional chiral fermion semimetals possess unique chiral structures and large spin Hall and spin Nernst conductivities.
Article
Engineering, Electrical & Electronic
Mingfeng Zhu, Haibo Yao, Liwei Jiang, Yisong Zheng
Summary: The intrinsic resistivity of monolayer Cu2Si is two orders of magnitude higher than that of lightly doped graphene due to the softer phonon and strong coupling between flexural phonon and electronic states in Cu2Si. Additionally, the linear relationship between resistivity and temperature in Cu2Si at temperatures above 70 K is associated with the Fermi surface nesting effect caused by electron-phonon scattering.
ACS APPLIED ELECTRONIC MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Flaviano Jose dos Santos, Nicola Marzari
Summary: Smearing techniques are used to improve the accuracy of Brillouin-zone sampling and reduce level-crossing instabilities in first-principles calculations of metallic and magnetic materials. Advanced smearing techniques, like Methfessel-Paxton and cold smearing, ensure that the total free energy of the system remains independent of the smearing temperature. However, nonmonotonic occupation functions and the lack of unique definition for the chemical potential can be drawbacks. To address this, a numerical protocol using Newton's minimization method is introduced to identify the desired Fermi energy.
Article
Chemistry, Physical
Jiexi Song, Yanqing Qin, Diwei Shi, Xinyu Chen, Yaocen Wang, Xiaoguang Yang, Wolfgang Loeser, Chongde Cao
Summary: This study presents a computational materials discovery and design process to expand the range of CaPtAs-like noncentrosymmetric superconductors and screen out potential candidates for investigating superconductivity and topological superconductivity.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Multidisciplinary Sciences
Kifu Kurokawa, Shunsuke Isono, Yoshimitsu Kohama, So Kunisada, Shiro Sakai, Ryotaro Sekine, Makoto Okubo, Matthew. D. D. Watson, Timur. K. K. Kim, Cephise Cacho, Shik Shin, Takami Tohyama, Kazuyasu Tokiwa, Takeshi Kondo
Summary: By studying the inner CuO2 planes of a six-layered compound, the authors find that even the slightest amount of carriers can turn a Mott insulating state into a metallic state with long-lived quasiparticles. Furthermore, they observe a phase transition from the superconducting to the metallic states at 4% doping.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Piotr Ruszala, Maciej J. Winiarski, Malgorzata Samsel-Czekala
Summary: The electronic structures and microscopic electronic properties of novel La1_xTlxN rock-salt materials have been studied. La0.5Tl0.5N exhibits metallic character, while La0.75Tl0.25N is similar to LaSb and LaBi. Topologically non-trivial characteristics are expected in these nitride materials.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2021)
Article
Materials Science, Multidisciplinary
Paul Worm, Motoharu Kitatani, Jan M. Tomczak, Liang Si, Karsten Held
Summary: In this study, a bilayer structure of Ba2CuO3+y was revealed using density-functional theory and dynamical mean-field theory. It was found that interlayer self-doping leads to a quasi-one-dimensional band with strong nesting and antiferromagnetic fluctuations, possibly responsible for the superconductivity in Ba2CuO3+y.
Article
Materials Science, Multidisciplinary
Hyo-Sun Jin, Warren E. Pickett, Kwan-Woo Lee
Summary: First-principles investigations on the high-temperature superconducting system Ba2CuO3+delta, with a focus on oxygen ordering effects, reveal unique electronic and magnetic properties such as stretched Cu-plane oxygen distances and shortened Cu-apical oxygen separations. The system with strongly one-dimensional Cu-O-P chain structure shows 1D Fermi surfaces and antiferromagnetic chains. The energetically preferred structure for the superconducting phase involves a doubled bilayer structure with alternating Cu-O-P chains and Cu3O4 ladders.
Article
Chemistry, Multidisciplinary
Bahadur Singh, Hsin Lin, Arun Bansil
Summary: Interest in topological materials is growing due to their conceptual novelty and potential for transformative new technologies. This perspective presents recent research on understanding the role of geometry and topology in generating topological states and their responses. Effective strategies for topological materials discovery and future research directions are also discussed.
ADVANCED MATERIALS
(2023)
Article
Spectroscopy
Sae Hee Ryu, Garett Reichenbach, Chris M. Jozwiak, Aaron Bostwick, Peter Richter, Thomas Seyller, Eli Rotenberg
Summary: Angle-Resolved Photoemission Spectroscopy (ARPES) is a technique used to study electronic excitations in conductive, crystalline matter. In this paper, the authors report progress towards magnetoARPES, a variant of ARPES that can be conducted in a magnetic field. They demonstrate the viability of this technique by presenting experimental and simulated data for graphene.
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
(2023)
Article
Chemistry, Physical
Jian-Xiang Qiu, Christian Tzschaschel, Junyeong Ahn, Anyuan Gao, Houchen Li, Xin-Yue Zhang, Barun Ghosh, Chaowei Hu, Yu-Xuan Wang, Yu-Fei Liu, Damien Berube, Thao Dinh, Zhenhao Gong, Shang-Wei Lien, Sheng-Chin Ho, Bahadur Singh, Kenji Watanabe, Takashi Taniguchi, David C. Bell, Hai-Zhou Lu, Arun Bansil, Hsin Lin, Tay-Rong Chang, Brian B. Zhou, Qiong Ma, Ashvin Vishwanath, Ni Ni, Su-Yang Xu
Summary: Using circularly polarized light, researchers have observed helicity-dependent optical control of fully compensated antiferromagnetic order in a topological axion insulator called MnBi2Te4. This optical control and circular dichroism are based on the optical axion electrodynamics and can potentially be used to control PT-symmetric antiferromagnets and create dissipationless circuits using topological edge states.
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
Multidisciplinary Sciences
Anyuan Gao, Yu-Fei Liu, Jian-Xiang Qiu, Barun Ghosh, Thais V. Trevisan, Yugo Onishi, Chaowei Hu, Tiema Qian, Hung-Ju Tien, Shao-Wen Chen, Mengqi Huang, Damien Berube, Houchen Li, Christian Tzschaschel, Thao Dinh, Zhe Sun, Sheng-Chin Ho, Shang-Wei Lien, Bahadur Singh, Kenji Watanabe, Takashi Taniguchi, David C. Bell, Hsin Lin, Tay-Rong Chang, Chunhui Rita Du, Arun Bansil, Liang Fu, Ni Ni, Peter P. Orth, Qiong Ma, Su-Yang Xu
Summary: This article reports a quantum metric nonlinear Hall effect induced by interfacing even-layered MnBi2Te4 with black phosphorus. The effect switches direction upon reversing the antiferromagnetic spins and exhibits distinct scaling.
Article
Materials Science, Multidisciplinary
Zhixue Shu, Haozhe Wang, Na Hyun Jo, Chris Jozwiak, Aaron Bostwick, Eli Rotenberg, Weiwei Xie, Tai Kong
Summary: Single crystals of a new layered compound, Cr1.21Te2, were synthesized and characterized. The compound exhibits metallic properties with hole pockets at the Fermi energy and undergoes a ferromagnetic phase transition at approximately 173K. The crystal structure and physical properties suggest its potential application as a low dimensional ferromagnet.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Hung-Yu Yang, Jonathan Gaudet, Rahul Verma, Santu Baidya, Faranak Bahrami, Xiaohan Yao, Cheng-Yi Huang, Lisa DeBeer-Schmitt, Adam A. Aczel, Guangyong Xu, Hsin Lin, Arun Bansil, Bahadur Singh, Fazel Tafti
Summary: We investigate the magnetic and electronic transport properties of NdAlGe, a Weyl semimetal which breaks inversion and time-reversal symmetries. The material displays an incommensurate spin density wave and transitions to a commensurate ferrimagnetic state at low temperatures. Small-angle neutron scattering reveals the formation of ferrimagnetic domains with different characteristic length scales in real space. Interestingly, unlike NdAlSi, NdAlGe exhibits two different regimes of anomalous Hall effect, one governed by intrinsic Berry curvature and the other by extrinsic disorders/spin fluctuations.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Bharti Parashar, Lars Rathmann, Hyun-Jung Kim, Iulia Cojocariu, Aaron Bostwick, Chris Jozwiak, Eli Rotenberg, Jose Avila, Pavel Dudin, Vitaliy Feyer, Christoph Stampfer, Bernd Beschoten, Gustav Bihlmayer, Claus M. Schneider, Lukasz Plucinski
Summary: Using microfocused angle-resolved photoemission spectroscopy, the researchers studied microstructures containing single-layer and bilayer WSe2 on graphite substrates with different twist angles. They found that electrons emitted from the graphite were diffracted when passing through the WSe2, forming band replicas observed in experimental Fermi surface maps. The researchers observed no evidence of hybridization gaps at the interlayer band-crossing points for the twisted bilayer WSe2 similar to 28 degrees and similar to 10 degrees, as well as for the single-layer WSe2 on graphite.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Physics, Multidisciplinary
Christopher Lane, Ruiqi Zhang, Bernardo Barbiellini, Robert S. Markiewicz, Arun Bansil, Jianwei Sun, Jian-Xin Zhu
Summary: The discovery of superconductivity in doped infinite-layer nickelates has attracted significant attention. The authors used a quantum many-body approach to investigate the electronic and magnetic properties of LaNiO2, providing insights into the suppressed long-range order and magnetic excitation spectrum in the nickelates. They found that the magnetic properties of the infinite-layer nickelates are closer to those of doped cuprates, rather than undoped cuprates. The study gives insights into the origin of strong magnetic competition in the infinite-layer nickelates and their relationship with the cuprates.
COMMUNICATIONS PHYSICS
(2023)
Article
Physics, Condensed Matter
Vasilii Gromov, Atlas Noubir, Fatemeh Keshavarz, Ekaterina Laakso, Bernardo Barbiellini, Arun Bansil
Summary: Anhydrous ferrous oxalate performs better than its hydrated form as an anode in Li-ion batteries. By conducting first principles calculations, we investigate the potential of anhydrous ferrous oxalate as an anode in Na-ion batteries. Our analysis shows that anhydrous ferrous oxalate generates a lower reaction potential in Na-ion batteries and Li-ion batteries compared to mixed oxalate-based Na-ion batteries. This conversion electrode achieves high capacities through the Fe2+ valence states of iron.
Article
Physics, Condensed Matter
Katariina Pussi, Keying Ding, Bernardo Barbiellini, Koji Ohara, Hiroki Yamada, Chuka Onuh, James McBride, Arun Bansil, Ray K. Chiang, Saeed Kamali
Summary: We discuss the atomic structure of Mn-doped cobalt ferrite nanoparticles using a combination of atomic pair distribution functions, high energy X-ray diffraction, and high-resolution transmission electron microscopy measurements. Cobalt ferrite nanoparticles are promising materials for metal-air battery applications. However, the poor electronic conductivity of cobalt ferrite at ambient temperatures limits its bifunctional catalytic performance in oxygen electrocatalysis. Our study reveals that the introduction of Mn ions promotes the conductivity of the cobalt ferrite electrode.
Article
Chemistry, Multidisciplinary
Shuyu Cheng, M. Nrisimhamurty, Tong Zhou, Nuria Bagues, Wenyi Zhou, Alexander J. Bishop, Igor Lyalin, Chris Jozwiak, Aaron Bostwick, Eli Rotenberg, David W. McComb, Igor Zutic, Roland K. Kawakami
Summary: This article reports the band structure of epitaxial CoSn thin films grown on insulating substrates, and flat bands are observed using ARPES. The band structure is consistent with DFT calculations and the transport properties are quantitatively explained. This work paves the way for realizing flat band-induced phenomena through fine-tuning of flat bands in kagome materials.
Article
Multidisciplinary Sciences
Sathya R. Chitturi, Zhurun Ji, Alexander N. Petsch, Cheng Peng, Zhantao Chen, Rajan Plumley, Mike Dunne, Sougata Mardanya, Sugata Chowdhury, Hongwei Chen, Arun Bansil, Adrian Feiguin, Alexander I. Kolesnikov, Dharmalingam Prabhakaran, Stephen M. Hayden, Daniel Ratner, Chunjing Jia, Youssef Nashed, Joshua J. Turner
Summary: This research utilizes a machine learning platform combined with linear spin wave theory simulations to extract and optimize advanced models for ordered magnetic systems using inelastic neutron scattering data. It provides a framework for real-time analysis of experimental data in condensed matter.
NATURE COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Jinwoong Kim, Cheng-Yi Huang, Hsin Lin, David Vanderbilt, Nicholas Kioussis
Summary: The researchers propose that pristine bulk Bi can serve as a three-dimensional analog of the SSH model, demonstrating the existence of topologically nontrivial and trivial domain walls and providing criteria for determining the Zak phase of domain walls based on parity eigenvalues. They suggest that the dimerization reversal in Bi and the formation of domain walls can be achieved through intense femtosecond laser excitations.
Article
Materials Science, Multidisciplinary
Jinliang Ning, Christopher Lane, Yubo Zhang, Matthew Matzelle, Bahadur Singh, Bernardo Barbiellini, Robert S. Markiewicz, Arun Bansil, Jianwei Sun
Summary: The role of lattice dynamics in unconventional high-temperature superconductivity is still debated, but has long been hindered by the lack of an accurate first-principles description of the combined electronic, magnetic, and lattice degrees of freedom. Using the r2SCAN density functional that stabilizes the antiferromagnetic state of YBa2Cu3O6, we accurately reproduce the experimental dispersion of key phonon modes and find significant magnetoe-lastic coupling in high-energy Cu-O bond stretching optical branches.