Article
Chemistry, Physical
Leonid A. Chernozatonskii, Victor A. Demin, Alexander G. Kvashnin, Dmitry G. Kvashnin
Summary: In this study, a novel two-dimensional carbon quasicrystal structure named diamane quasicrystal is proposed, showing unique atomic features and superior mechanical properties compared to the conventional AB-stacked diamanes. Through DFT and MD methods, it is found that diamane quasicrystals have promising application prospects, opening up a new pathway for synthesizing inorganic quasicrystals with special physical and chemical properties.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Physical
E. Gaudry, J. Ledieu, V. Fournee
Summary: Nanostructured alloy surfaces have unique physical properties and chemical reactivities that can benefit the design of catalysts and electronic devices. The cluster-based bulk structure offers an alternative method for building surfaces with specific morphologies, relying on specific electronic structures and experimental conditions. The study explores the surface structures of cluster-based intermetallics and how they impact the growth of atomic and molecular thin films.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Swagata Acharya, Dimitar Pashov, Mark van Schilfgaarde
Summary: By employing an advanced ab initio Green's function description, this study shows that the superconductivity in FeSe is not significantly affected by its nematic phase, suggesting that nematicity is not the primary force driving superconducting pairing in this material.
Article
Materials Science, Multidisciplinary
Qingguo Feng
Summary: LiOHFeSe, a layered material, has been extensively studied for its magnetic states and superconductivity. In this work, an isomer of LiOHFeSe containing FeO and LiSeH layers is computationally investigated, with a focus on electron correlation, electronic structures, magnetism, and optical properties. The results show that LiSeHFeO exhibits different absorption spectra at different magnetic states and has potential for a semiconductor-metal transition.
JOURNAL OF MATERIALS SCIENCE
(2021)
Article
Materials Science, Multidisciplinary
Matthew D. Horner, Jiannis K. Pachos
Summary: This study reveals that fermionic systems such as graphene can exhibit counterintuitive relativistic effects at their boundaries, which may influence their coupling to leads, transport properties, or response to external fields.
Article
Materials Science, Multidisciplinary
Munisa Nurmamat, Sergey Eremeev, Xiaoxiao Wang, Tomoki Yoshikawa, Takashi Kono, Masaaki Kakoki, Takayuki Muro, Qi Jiang, Zhipeng Sun, Mao Ye, Akio Kimura
Summary: The research investigated the presence of type-II Dirac fermions in NiTe2 through experiments and calculations, revealing its anisotropic properties. The findings highlight NiTe2 as a promising platform for exploring anisotropic magnetotransport and potential applications.
Article
Physics, Applied
Yilin Zhang, Yafei Zhao, Jian Tu, Yafeng Deng, Pengfei Yan, Xingze Dai, Xuezhong Ruan, Yao Li, Wenqing Liu, Yongbing Xu, Liang He
Summary: Recently, band-splitting associated with spin polarization has been observed in centrosymmetric transition metal dichalcogenides, providing potential for valleytronic applications. The origin of this phenomenon remains unclear, especially in multilayer and bulk materials where interlayer coupling plays a role.
APPLIED PHYSICS LETTERS
(2023)
Article
Chemistry, Inorganic & Nuclear
Adam Grzelak, Mariana Derzsi, Wojciech Grochala
Summary: Our computational survey of chemical doping of silver(II) fluoride indicates that chemical modification may not be a feasible way to achieve doping in bulk silver(II) fluoride, due to the tendency for phase separation and inability to meet the necessary conditions for high-T-c superconductivity.
INORGANIC CHEMISTRY
(2021)
Article
Multidisciplinary Sciences
Yuki Tsuruma, Emi Kawashima, Yoshikazu Nagasaki, Takashi Sekiya, Gaku Imamura, Genki Yoshikawa
Summary: The report introduces next-generation PDs based on thin films of amorphous oxide semiconductors with performance surpassing the silicon limit. This breakthrough was achieved by creating an ideal Schottky interface at the interface, resulting in low specific on-resistance and high breakdown voltage. The technology allows successful fabrication of prototypes on flexible polyimide films, which are not compatible with the fabrication process of bulk single-crystal devices.
SCIENTIFIC REPORTS
(2021)
Article
Materials Science, Multidisciplinary
Dean Johnstone, Matthew J. Colbrook, Anne E. B. Nielsen, Patrik Ohberg, Callum W. Duncan
Summary: The presence of bulk localized transport (BLT) states in quasicrystals in magnetic fields is discovered. Unlike edge states, BLT states are fully contained within the bulk of the system and can support transport in distinct regions of the bulk. The existence of BLT states is attributed to the magnetic aperiodicity of the quasiperiodic lattice. This discovery opens up new possibilities for applications similar to edge states, but utilizing the larger bulk of the lattice.
Article
Chemistry, Physical
Cong Fu, Fei Li, Jianlong Yang, Jijia Xie, Yunshang Zhang, Xiao Sun, Xusheng Zheng, Yuanxu Liu, Junfa Zhu, Junwang Tang, Xue-Qing Gong, Weixin Huang
Summary: It is found that uniform anatase TiO2 nanocrystals predominantly enclosed with the {001} facets exhibit high activity in photocatalytic catalyzing methane combustion. The valence band maximum and conduction band minimum were found to locate separately for TiO2-{001} nanocrystals terminated with the reconstructed (001)-(1 x 4) surface, at the surface and in the bulk, respectively. The photocatalytic methane reaction rate is about 6 and 7 times higher compared to TiO2 nanocrystals predominantly enclosed with the {100} facets or with the {101} facets. This high activity is mainly attributed to the spontaneous bulk-surface charge separation and subsequent facile interfacial hole transfer from TiO2(001) surface to adsorbed methane.
Article
Mathematics, Applied
Claudio Sanchez Perez de Amezaga, Victor M. Garcia-Suarez, Juan L. Fernandez-Martinez
Summary: The article presents a series of methods based on machine learning techniques for classifying and predicting bulk DOS, as well as predicting DOS curves and chemical properties of different elements. By reducing data dimensionality and extracting basic information, accurate predictions of original curves can be made with good consistency between predicted and actual values.
APPLIED MATHEMATICS AND COMPUTATION
(2022)
Article
Polymer Science
Franz Schauer
Summary: This article presents the application of the new spectroscopic method ER-EIS in the study of organic polymeric semiconductors. It explains the role of the method in electronic structure elucidation and explores its application in investigating pore structure. The article also discusses three unresolved aspects of the method.
Review
Physics, Multidisciplinary
Amalia I. Coldea
Summary: Isoelectronic substitution serves as an ideal tuning parameter for investigating electronic properties in iron-based superconductors, providing insights into the behavior of nematic electronic superconductors like FeSe1-x S x. Experimental progress shows that electronic correlations and Fermi velocities decrease in the nematic phase, and a pairing mechanism potentially related to spin fluctuations may be present in certain cases.
FRONTIERS IN PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Helena M. Ferreira, Elsa B. Lopes, Jose F. Malta, Luis M. Ferreira, Maria Helena Casimiro, Luis F. Santos, Manuel F. C. Pereira, Duarte Moso, Antonio P. Goncalves
Summary: Pyrite as a promising material for thermoelectric applications due to its favourable electronic structure, but with systematically small power factors, there is still room for improvement. This study focused on the preparation of pyrite by hot-pressing, confirming its thermal stability up to 400 degrees C, but further research is needed to explore ways to increase its power factor.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2021)
Article
Materials Science, Ceramics
M. Arshad, Wasi Khan, Parasmani Rajput, Manvendra Kumar, M. Abushad, Shahid Husain
Summary: This report investigates the local structure geometry of BaTi1-xNixO3 ceramics through synchrotron based x-ray-absorption spectroscopy, Raman studies, and differential thermal analysis. The results show that Ni doping disturbs the Ti-O off-center displacement and increases structural disorders, leading to the disappearance of ferroelectricity due to the decrement in the off-center displacement between Ti4+ and O-2 ions.
CERAMICS INTERNATIONAL
(2022)
Article
Physics, Condensed Matter
Supriyo Majumder, Malvika Tripathi, I Pis, S. Nappini, P. Rajput, S. N. Jha, R. J. Choudhary, D. M. Phase
Summary: This article investigates the physical observables depicting the ground states of ferromagnetic insulators in double perovskite thin films fabricated under different conditions. The presence of anti-site disorders significantly influences the magnetic and anisotropy behaviors in the system. The study suggests that the eigenstates of the cations can be described as a linear combination of specific states, and the electronic structure exhibits closely spaced Ni 3d, Mn 3d, and O 2p states.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Physics, Multidisciplinary
Sina Mousavion, Ka Man Yu, Mahalingam Maniraj, Lu Lyu, Johannes Knippertz, Benjamin Stadtmueller, Martin Aeschlimann
Summary: This study examines the atomic and mesoscopic structural details of three different binary rare-earth-noble metals surface alloys. The research reveals different surface alloy structures, with DyAg2 surface alloy showing an inhomogeneous local structure. The findings demonstrate that surface alloying is an effective tool for tuning metallic heterostructures.
NEW JOURNAL OF PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Anupam K. Singh, Parul Devi, Ajit K. Jena, Ujjawal Modanwal, Seung-Cheol Lee, Satadeep Bhattacharjee, Boby Joseph, Sanjay Singh
Summary: Isostructural phase transition is observed in the biskyrmion host MnNiGa under pressure, accompanied by anisotropic compression behavior. The crystal structure changes with pressure while maintaining hexagonal symmetry.
PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS
(2022)
Article
Chemistry, Physical
Kevin Ruwisch, Tobias Pohlmann, Florian Bertram, Christoph Schlueter, Andrei Gloskovskii, Karsten Kuepper, Joachim Wollschlaeger
Summary: In this work, we conducted a comprehensive study on real-time monitoring of the growth of epitaxial CoxFe3-xO4 thin films. Through time resolved operando HAXPES technique, we observed different growth characteristics under different oxygen partial pressures, including metallic, light oxidic, and cobalt ferrite-like growth.
Article
Chemistry, Physical
Pramod Vishwakarma, Maheswar Nayak, V. R. Reddy, Andrei Gloskovskii, Wolfgang Drube, Ajay Gupta
Summary: The characteristics of the interfaces in the magnetic layer of the heterostructure Ta/Co2FeAl/MgO have been studied using HAXPES. It has been observed that the behavior of Co and Fe at the interfaces is different, with a higher percentage of Fe being oxidized or alloyed. The oxidation state of both Co and Fe decreases as the distance from the MgO interface increases, and Fe is further oxidized and Co is partially reduced after thermal annealing.
APPLIED SURFACE SCIENCE
(2022)
Article
Physics, Applied
Srishti Dixit, Labanya Ghosh, Mohd Alam, Satya Vijay Kumar, Neha Patel, Swayangsiddha Ghosh, Nisha Shahi, Sanjay Singh, Sandip Chatterjee
Summary: We investigated the low-temperature exotic properties of M1.5Co0.5FeAl alloy using macroscopic techniques and found a glassy phase at 33K. The presence of a cluster spin glass phase was confirmed by measuring ac susceptibility. The relaxation time for the spin was found to be of the order of tau similar to 10(-9) s, indicating the presence of a cluster spin glass below an irreversible temperature.
JOURNAL OF APPLIED PHYSICS
(2023)
Article
Physics, Applied
Anupam K. Singh, Gaurav K. Shukla, Sanjay Singh
Summary: This paper reports the intrinsic anomalous Hall conductivity (AHC) and topological Hall effect (THE) in the bulk Ni2MnGa magnetic shape memory alloy. The intrinsic Berry phase mechanism dominates the AHC in all the structural phases of Ni2MnGa, and an additional contribution in the Hall resistivity is observed as THE. The THE arises due to the real space Berry curvature induced by topologically protected magnetic skyrmion textures in the martensite and premartensite phases of Ni2MnGa.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2023)
Article
Physics, Multidisciplinary
Pampa Sadhukhan, Shuvam Sarkar, Sunil Wilfred D'Souza, Andrei Gloskovskii, Sudipta Roy Barman
Summary: The bulk electronic structure of Mn2NiGa in the austenite and martensite phases has been investigated using Hard X-ray Photoelectron Spectroscopy (HAXPES). In the austenite phase, a wide valence band (VB) spectrum with several prominent features has been observed, and theoretical calculations confirm that it is dominated by Ni 3d and Mn, Ni, Ga 4s states. Furthermore, the presence of anti-site disorder in Mn2NiGa has been established through the combination of experimental VB and Density Functional Theory (DFT) calculations. In the martensite phase, a marginal decrease in the density of states below the Fermi level and a slight shift in the main peak have been observed, which can be explained by the tetragonally distorted structure with anti-site disorder.
Article
Chemistry, Multidisciplinary
Lutz Baumgarten, Thomas Szyjka, Terence Mittmann, Andrei Gloskovskii, Christoph Schlueter, Thomas Mikolajick, Uwe Schroeder, Martina Mueller
Summary: The reliability of ferroelectric HfO2- and HZO-based memory devices is strongly influenced by the choice of electrode materials. Interface conditions, such as band alignment, defect formation, and doping, are recognized as decisive factors for device performance. Hard X-ray photoelectron spectroscopy reveals two opposite scenarios of band alignment in TiN/HZO/TiN and IrO2/HZO/IrO2, explaining the conditions for stable device performance and degradation. A key condition for the stability of ferroelectric devices is identified as the alignment of the charge neutrality level with the metallic Fermi level. Oxygen-deficient HfO2-based interfaces, where the Fermi level of the metal electrode is close to the conduction band of the ferroelectric insulator, can achieve stable device performance.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Physical
David Degerman, Christopher M. Goodwin, Patrick Lomker, Fernando Garcia-Martinez, Mikhail Shipilin, Andrei Gloskovskii, Anders Nilsson
Summary: By rapidly switching from high pressure to low pressure, this method allows for the detection of the remnant high pressure surface and the dynamics during re-equilibration. It provides faster and more detailed spectra compared to static operando measurements. However, there are different explanations for the different adsorbate distributions and the faster accumulation of CHx in CO2 and CO hydrogenation reactions.
Article
Materials Science, Multidisciplinary
Gaurav K. Shukla, Jyotirmoy Sau, Vishal Kumar, Manoranjan Kumar, Sanjay Singh
Summary: This paper reports on the experimental and theoretical study of the anomalous Hall effect in Heusler compounds. The experimental results show that the compound has an anomalous Hall conductivity of about 256 S/cm at low temperatures, with an intrinsic contribution of approximately 121 S/cm. Theoretical calculations demonstrate that the band splitting caused by spin-orbit interaction produces a finite Berry flux in the system, resulting in an intrinsic anomalous Hall conductivity of around 100 S/cm.
Article
Materials Science, Multidisciplinary
Tobias Pohlmann, Martin Hoppe, Jannis Thien, Arka Bikash Dey, Andreas Alexander, Kevin Ruwisch, Olof Gutowski, Jan Roeh, Andrei Gloskovskii, Christoph Schlueter, Karsten Kuepper, Joachim Wollschlaeger, Florian Bertram
Summary: In this study, time-resolved experimental techniques were used to investigate the structural evolution during the growth of Fe3O4 ultrathin films on different substrates using reactive molecular beam epitaxy. The results show that the growth process of Fe3O4 films involves both rock salt and inverse spinel structures, with the film initially adopting a rock salt structure and then transitioning to an inverse spinel structure as the film thickness increases.
Article
Materials Science, Multidisciplinary
Supriyo Majumder, Malvika Tripathi, R. Raghunathan, P. Rajput, S. N. Jha, D. O. de Souza, L. Olivi, S. Chowdhury, R. J. Choudhary, D. M. Phase
Summary: This article investigates the influence of antisite disorders on the magnetic and electronic states in double perovskite materials, and explores how to tune the magnetic anisotropy, magnetic phase transitions, and magnetization reversal mechanism by controlling these disorders.
Article
Materials Science, Multidisciplinary
Gaurav K. Shukla, Jyotirmoy Sau, Nisha Shahi, Anupam K. Singh, Manoranjan Kumar, Sanjay Singh
Summary: The study reveals that the Co2FeGe Heusler compound exhibits anomalous transport properties due to Weyl fermions and broken time-reversal symmetry. The experiment shows abnormal Hall conductivity at room temperature, with the main source being the Berry curvature originating from a gapped nodal line near the Fermi level.
