Article
Chemistry, Multidisciplinary
Shu Kagami, Noriyuki Urakami, Yuichiro Suzuki, Yoshio Hashimoto
Summary: The study focused on the preparation of SiAs and GeAs films using solid-source vapor growth, and investigated the alloying of SiAs and SiP. Different compositions of SiAsP rectangular films were grown under As-rich or P-poor conditions, with peak shifts in Raman modes observed as the composition changed. Electronic transport properties and photoluminescence at peak energies were demonstrated for SiAs and GeAs films, showing potential for device applications in the field of two-dimensional materials.
Article
Materials Science, Multidisciplinary
Mingfang Shu, Weicen Dong, Jinlong Jiao, Jiangtao Wu, Gaoting Lin, Yoshitomo Kamiya, Tao Hong, Huibo Cao, Masaaki Matsuda, Wei Tian, Songxue Chi, Zhongwen Ouyang, Hongwei Chen, Youming Zou, Zhe Qu, Qing Huang, Haidong Zhou, Jie Ma
Summary: In this study, we investigated the ground state and spin excitations in Ba3MnSb2O9, an easy-plane S = 5/2 triangular lattice antiferromagnet. Through various techniques including single-crystal neutron scattering, electric spin resonance, and spin wave calculations, we determined the spin Hamiltonian parameters describing the material. We found that Ba3MnSb2O9 is a nearly ideal triangular lattice antiferromagnet with quasiclassical spin S = 5/2, making it a potential candidate for the study of Z- or Z2-vortex excitations.
Article
Astronomy & Astrophysics
Fabrizio Di Giovanni, Davide Guerra, Simone Albanesi, Miquel Miravet-Tenes, Dimitra Tseneklidou
Summary: The study constructs spherically symmetric static solutions describing gravitationally bound composites of fermions and axions, known as fermion-axion stars. Through numerical simulations, it is found that there may exist multiple stable branches and multiple islands of stability in the existence domain.
Article
Physics, Nuclear
Zahra Ghalenovi, Masoumeh Moazzen Sorkhi
Summary: In this study, the static properties and semileptonic decays of ground-state doubly heavy baryons were investigated using a non-relativistic quark model. Ground state masses and magnetic moments of doubly heavy omega and Xi baryons were calculated using a phenomenological potential model. In the heavy quark limit, a simple form of the universal Isgur-Wise function was introduced and used as the transition form factor to investigate the exclusive b -> c semileptonic decay widths and branching fractions for 1/2 -> 1/2 baryon transitions. The obtained results are consistent with other theoretical predictions.
Article
Materials Science, Multidisciplinary
G. De Filippis, A. de Candia, A. S. Mishchenko, L. M. Cangemi, A. Nocera, P. A. Mishchenko, M. Sassetti, R. Fazio, N. Nagaosa, V. Cataudella
Summary: By studying the equilibrium properties and relaxation features of a quantum system of N spins antiferromagnetically interacting with each other and coupled to a common bath of bosonic oscillators, researchers identified a Beretzinski-Thouless-Kosterlitz quantum phase transition in the Ohmic regime. The critical value of alpha was found to be practically independent of N for nonvanishing J, preserving spin phase coherence for a finite range of alpha values. The relaxation features exhibited a nonmonotonic dependence on temperature similar to the Kondo effect, while a criterion analogous to the metal-insulator transition in solids was established for the observed quantum phase transition.
Article
Materials Science, Multidisciplinary
T. N. Haidamak, J. Valenta, J. Prchal, M. Valiska, J. Pospisil, V. Sechovsky, J. Prokleska, A. A. Zvyagin, F. Honda
Summary: Elastic constants, thermal expansion, magnetostriction, and heat capacity measurements were conducted on a single crystal of UIrSi3, both with and without applied magnetic field. The experimental results were interpreted using theoretical models, providing insights into the behavior of the material under magnetic influence and temperature variations.
Article
Mathematics
Sandeep Kumar, Felipe Ponce Vanegas, Luis Vega
Summary: This study investigates the dispersion process of low-regularity solutions to the Schrödinger equation using fractional weights. The uncertainty principle for fractional weights is proved and a lower bound for mass concentration is obtained. Moreover, it is found that the evolution of the system with initial data of Dirac comb in R exhibits fluctuations that concentrate at rational times, resembling a realization of a Lévy process, and shows multifractality.
TRANSACTIONS OF THE AMERICAN MATHEMATICAL SOCIETY
(2022)
Article
Quantum Science & Technology
Shi-Ning Sun, Mario Motta, Ruslan N. Tazhigulov, Adrian T. K. Tan, Garnet Kin-Lic Chan, Austin J. Minnich
Summary: Employing the quantum imaginary time evolution (QITE) algorithm on five-qubit IBM Quantum devices, we have successfully calculated finite-temperature properties of spin systems with up to four sites, including energy, correlation functions, and excitation spectra. Our work demonstrates that the ansatz-independent QITE algorithm is capable of computing diverse finite-temperature observables on near-term quantum devices, thanks to algorithmic improvements such as exploiting symmetries, circuit optimization, and error-mitigation techniques.
Article
Spectroscopy
Jingjie Yu, Yifei Xu, Shikao Shi, Jiye Wang, Huihua Song, Lianshe Fu
Summary: This paper reports the fabrication of a novel Tb3+ activated layered lutetium hydroxide and the tuning of its structure and spectroscopic properties through ion-exchange and intercalation of organic molecules. The hybrid material exhibited enhanced fluorescence emission and excellent stability, making it a highly potential sensor for the detection of Cu2+ ions.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Nanoscience & Nanotechnology
Shunda Zhang, Jiachang Bi, Ruyi Zhang, Peiyi Li, Fugang Qi, Zhiyang Wei, Yanwei Cao
Summary: This study reports on the electronic and magnetic properties of lutetium metals, lutetium dihydride powders, and lutetium oxide powders. It is found that the resistance of lutetium has a linear behavior depending on temperature, while the resistance of lutetium dihydride powders changes little with decreasing temperature. Paramagnetism-ferromagnetism-spin glass transitions were observed at near 240 and 200 K, respectively, in lutetium metals. The presence of spin glassy behavior in lutetium and lutetium dihydride is attributed to the concentrations of dilute magnetic impurities. This research uncovers the complex magnetic properties of lutetium and lutetium dihydride and their connections to lutetium-based compounds.
Article
Materials Science, Ceramics
Shilpa Singh, Yogesh Sonvane, Kiril A. Nekrasov, Anatoliy Ya Kupryazhkin, Pankaj N. Gajjar, Sanjeev K. Gupta
Summary: In this study, the effect of pressure on the mechanical and optical properties of ThO2 and PuO2 was investigated using DFT + U with spin-orbit coupling. The results demonstrate that pressure has a significant impact on the mechanical and optical properties of both compounds, which is in agreement with experimental outcomes.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Chemistry, Physical
Ali Eltareb, Gustavo E. Lopez, Nicolas Giovambattista
Summary: PIMD and RPMD simulations were used to study the properties of water and heavy water, revealing limitations in replicating the observed fluctuations in properties under supercooled conditions. Comparison with classical MD simulations showed minor differences in most properties, with exceptions in C-P(T), D(T), and structural properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Engineering, Civil
Pablo Arboleya, Clement Mayet, Alain Bouscayrol, Bassam Mohamed, Philippe Delarue, Islam El-Sayed
Summary: The paper compares dynamic and static models to analyze their impact on railway electrical system behavior, with the dynamic model being accurate but time-consuming, while the static model is faster but less accurate in certain scenarios.
IEEE TRANSACTIONS ON INTELLIGENT TRANSPORTATION SYSTEMS
(2022)
Article
Nanoscience & Nanotechnology
Masamichi Nishino, Ismail Enes Uysal, Taichi Hinokihara, Seiji Miyashita
Summary: The study focuses on investigating the static and dynamic properties of the Nd permanent magnet, Nd2Fe14B, and presents the temperature dependence of magnetizations, domain wall profiles, and ferromagnetic resonance frequency. Additionally, the coercive force of a single grain is estimated using a statistical method, showing the surface anisotropy effect of Nd atoms on coercive force and magnetic fields in a hard-soft-hard magnet model.
Article
Materials Science, Multidisciplinary
Archit Dhingra, Alexey Lipatov, Haidong Lu, Katerina Chagoya, Joseph Dalton, Alexei Gruverman, Alexander Sinitskii, Richard G. Blair, Peter A. Dowben
Summary: GeI2 is an interesting two-dimensional wide-band gap semiconductor with unique surface and bulk properties. Studies suggest the presence of iodine in the bulk of GeI2, and the optical band gap of GeI2 is consistent with expectations. GeI2 exhibits paramagnetic behavior at low temperatures and a diminishing saturation moment at high temperatures.
Article
Physics, Condensed Matter
Thipok Bovornratanaraks, Rajeev Ahuja, Wei Luo, Prutthipong Tsuppayakorn-aek
Summary: The allotrope of HfO2 was explored using first-principles evolutionary algorithm technique, and a thermodynamically stable tetragonal structure was discovered under compressed conditions. The allotrope was found to be a semiconductor and showed potential for experimental and theoretical attainment in the metal oxides family.
PHYSICA B-CONDENSED MATTER
(2023)
Article
Nanoscience & Nanotechnology
Mukesh Pandey, Rajeev Ahuja, Rakesh Kumar
Summary: This article presents an extensive experimental and analytical analysis of the spontaneous blister-formation in multilayer graphene flakes on a polymeric substrate, elucidating the underlying mechanism and parameters governing the elastic-solid and viscoelastic-substrate based instabilities. A "blister-collapse model" is proposed, suggesting that the suppression of hoop compression due to phase transition of confined matter plays a crucial role in the development of instabilities. The ratio of blister height to flake thickness is directly related to the taper angle of the graphene blister and the thickness-dependent elasticity of the upper-bounding graphene flake, impacting the growth dynamics of the viscous fingering pattern under the graphene blister.
Article
Chemistry, Physical
Khushboo Yadav, Hariom Birla, Showkat H. Mir, Thomas Halbritter, Alexander Heckel, Jayant K. Singh, Thiruvancheril G. Gopakumar
Summary: In this article, we study the trans isomer of azobenzene (AB) and its derivatives and their switchability on surfaces. We find that the switching probability is very low due to the large activation barrier for switching from trans to cis. However, when switching is performed from a meta-stable initial condition, the switching probability is enhanced by several folds. The enhanced switching probability is a result of switching between two associated cis states with relatively low energy barriers.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Shardul Vadalkar, Darshil Chodvadiya, Narayan N. Som, Keyur N. Vyas, Prafulla K. Jha
Summary: In this study, the adsorption performance of Boron and Nitrogen doped C-18 nanoclusters (C17X: X=B,N) towards CO, NO, and NH3 gases was investigated using first principles calculations. The structural, electronic, and sensing properties of C17X nanoclusters were studied to understand their sensing behavior. The interaction of C17B nanocluster with CO, NO, and NH3 molecules result in chemical adsorption, while for C17N, physisorption is observed with CO and NH3, and chemisorption is observed with NO gas molecule. The adsorption energy order is CO (-1.41 eV) > NH3 (-1.81 eV) > NO (-2 eV) for C17B, and CO (-0.15 eV) > NH3 (-0.25 eV) > NO (-1.32 eV) for C17N. The long recovery time of C17B nanocluster makes it suitable for removal applications, while the shorter recovery time of C17N nanocluster is suitable for sensor applications.
Article
Nanoscience & Nanotechnology
Payal Chauhan, Sohel Siraj, K. Simmy Joseph, Shweta Dabhi, Gopala R. R. Bhadu, Parikshit Sahatiya, C. K. Sumesh
Summary: The use of alternative energy sources to replace fossil fuels is a pressing issue. Efficient catalysts for water splitting and energy storage technologies have become crucial for achieving sustainability. In this study, CoCr-LDH@VNiS2 was synthesized and demonstrated high performance in water splitting and electrochemical capacitors. The findings provide new insights for the rational design and synthesis of bifunctional catalysts.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Inorganic & Nuclear
Xiaofeng Zhao, Weipeng Wang, Yuancheng Teng, Yuxiang Li, Xue Ma, Yang Liu, Rajeev Ahuja, Wei Luo, Zhengjun Zhang
Summary: This study successfully achieved the incorporation of Th4+ and Sr2+ into the rhabdophane/monazite structure in an acid solution. The excess of Sr2+ was found to be a significant factor that affects the stability domain. The rapid ion removal and high efficiency removal of Th4+ were observed. The structural energetics calculation suggested the favorable lattice occupation of Th4+ and Sr2+ in rhabdophane.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Prutthipong Tsuppayakorn-aek, Prayoonsak Pluengphon, Wiwittawin Sukmas, Aparporn Sakulkalavek, Burapat Inceesungvorn, Wei Luo, Thiti Bovornratanaraks
Summary: Investigating superconductivity is highly important, especially in predicting the superconducting properties of van der Waals layered XP2 (X = As, Sb, Bi) structures. By employing a first-principle evolutionary algorithm, the energetically stable configurations of phosphides (AsP2, SbP2, and BiP2) were determined. An in-depth examination of relevant electronic properties, including the role of anharmonic phonon properties, was conducted to study the superconductivity potential in these structures. The presence of anharmonicity was found to significantly suppress the superconducting abilities, possibly explaining the lower observed superconducting critical temperature in these van der Waals layered structures.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Showkat H. Mir, Sudip Chakraborty
Summary: This study investigates the effects of hydrostatic pressure on the structural, electronic, and optical properties of a perovskite compound. The application of pressure leads to band gap narrowing and a reduction in effective carrier masses, which could be beneficial for optoelectronic applications.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Hariom Birla, Showkat H. Mir, Khushboo Yadav, Thomas Halbritter, Alexander Heckel, Jayant K. Singh, Thiruvancheril G. Gopakumar
Summary: This study investigates the electronic structure, switching barrier, and electron/hole-induced switching of three different azobenzene derivatives on a graphite surface. It is found that molecules with strong inter-molecular interactions in the adlayer have a lower switching probability, and the molecule-surface interaction also affects the switching.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Nuha Wazzan, Prafulla K. Jha
Summary: This study explores the potential of C18 nanoclusters and its analogous structures as SACs in the hydrogen evolution reaction and oxygen evolution reaction. It is found that there is a strong binding between transition metals and nanoclusters. The introduction of Ni, Pd, and Pt onto the nanoclusters improves the conductivity of the support, and exhibits potential as HER catalysts.
SURFACES AND INTERFACES
(2023)
Article
Chemistry, Physical
Nabil Khossossi, Amitava Banerjee, Poulumi Dey
Summary: In this study, ������-NbB2-based catalysts were identified as promising non-precious electrocatalysts for the hydrogen-evolution reaction (HER), with Fe/Co covalent doping on ������-NbB2 {001} surface showing high-efficiency HER activity. Compared to Pt-based surface catalysts, both ������-NbB2 and Fe/Co-NbB2 catalysts exhibit consistently high catalytic activity for HER over a large hydrogen coverage.
SURFACES AND INTERFACES
(2023)
Article
Chemistry, Physical
Namrata A. Tukadiya, Sourav Kanti Jana, Brahmananda Chakraborty, Prafulla K. Jha
Summary: In this study, new 0D materials such as C24, Al12N12, and Al12P12 fullerenes were investigated for glucose sensing. The results showed that Al12P12 and Al12N12 exhibited strong chemisorption and charge transfer from fullerenes to glucose, while C24 showed optimal adsorption with charge transfer from glucose to fullerene. These materials have great potential for glucose adsorption and detection.
SURFACES AND INTERFACES
(2023)
Article
Green & Sustainable Science & Technology
Hardik L. Kagdada, Basant Roondhe, Vaishali Roondhe, Shweta D. Dabhi, Wei Luo, Dheeraj K. Singh, Rajeev Ahuja
Summary: This study focuses on the photophysical and electronic properties of 2D hybrid perovskites and explores their potential applications in solar energy harvesting. By altering the A-site cations, the authors observed changes in bandgap, Rashba splitting effects, and optical activity, which hold promise for high-efficiency solar energy applications.
ADVANCED ENERGY AND SUSTAINABILITY RESEARCH
(2023)
Article
Chemistry, Physical
Divyani Gupta, Alankar Kafle, Prajna Parimita Mohanty, Tisita Das, Sudip Chakraborty, Rajeev Ahuja, Tharamani C. Nagaiah
Summary: The electrochemical production of NH3 by Zn-air batteries is a viable and economical approach. The synthesis of amorphous Co2B nanosheets through sonochemical method shows outstanding performance as a trifunctional electrocatalyst for NH3 synthesis and oxygen bifunctional activity for Zn-air batteries.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Multidisciplinary
Mukesh Pandey, Rajeev Ahuja, Rakesh Kumar
Summary: This study investigates the viscous fingering instabilities in spontaneously formed blisters of MoS2 multilayers and provides thorough analytical and experimental insights into the dynamical evolution of the viscous fingering patterns and the coupled instabilities in the blisters. The adhesion mechanical insights obtained from the study can be beneficial for fundamental research and practical applications of 2D material blisters in flexible optoelectronics.
NANOSCALE ADVANCES
(2023)
