Article
Physics, Fluids & Plasmas
Bruno Murta, J. Fernandez-Rossier
Summary: This article introduces Quintanilla's theorem, which establishes a one-to-one relation between zero-temperature static spin-spin correlators and coupling constants for quantum spin Hamiltonians. The theorem provides a theoretical foundation for learning quantum spin Hamiltonians using spin structure factors as input data. The validity of the theorem is extended to the case of finite-temperature spin structure factors, and it also applies to all types of Hamiltonians expressed as sums of bilinear operators.
Article
Chemistry, Multidisciplinary
Chenhui Yan, Yanglin Zhu, Leixin Miao, Sebastian Fernandez-Mulligan, Emanuel Green, Ruobing Mei, Hengxin Tan, Binghai Yan, Chao-Xing Liu, Nasim Alem, Zhiqiang Mao, Shuolong Yang
Summary: Researchers have discovered tunable magnetic ground states in MnBi6Te10 by using magnetization measurements, angle-resolved photoemission spectroscopy, and transmission electron microscopy. They have demonstrated an energy gap at the Dirac point on the MnBi2Te4 termination in the ferromagnetic phase, and gapless topological surface states on all terminations in the antiferromagnetic MnBi6Te10. By analyzing the data, they have proposed a conceptual framework to explain how these defects can affect the overall magnetic ground state energy and be used to tune the magnetic topological orders.
Article
Physics, Multidisciplinary
Subhankar Khatua, Michel J. P. Gingras, Jeffrey G. Rau
Summary: Accidental ground state degeneracies, not caused by global symmetries, can be lifted by fluctuations, resulting in long-range order known as order-by-disorder. We demonstrate the characteristic temperature dependence of the fluctuation-induced pseudo-Goldstone gap in a two-dimensional model, showing that it scales as the square root of temperature at low temperatures. We establish that the power-law temperature dependence of the gap is a general consequence of order-by-thermal-disorder.
PHYSICAL REVIEW LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Kota Mitsumoto, Hikaru Kawamura
Summary: The ordering properties of the isotropic RKKY Heisenberg model on the 2D triangular lattice and its implications for the formation of chiral-degenerate skyrmion crystal (SkX) in metallic magnets are studied by extensive Monte Carlo simulations.
Article
Materials Science, Multidisciplinary
Jeonghun Lee, Eundeok Mun
Summary: Single crystals of RNi4Cd (R = Ce, Nd, Sm, and Gd - Tm) are grown by Cd flux and their physical properties are investigated. The unit cell volume of RNi4Cd follows a lanthanide contraction, implying a 3+ valence state of rare-earth ions in this series, except for R = Ce. Magnetic susceptibility curves for R = Nd and Gd-Tm follow the Curie-Weiss behavior at high temperatures. The electrical resistivity shows metallic behavior for all RNi4Cd compounds. Only GdNi4Cd indicates an antiferromagnetic ordering below TN = 4.5 K.
Article
Multidisciplinary Sciences
Satoru Hayami, Tsuyoshi Okubo, Yukitoshi Motome
Summary: The study explores how phase shifts in skyrmion crystals can lead to other crystalline topological spin textures, showing nonreciprocal transport phenomena and providing more diversity for topological spin textures.
NATURE COMMUNICATIONS
(2021)
Article
Materials Science, Multidisciplinary
Haiyan Zhu, Yifan Gao, Yusheng Hou, Zhigang Gui, Li Huang
Summary: In this study, the magnetic diagram of monolayer 1T-CrTe2 under in-plane biaxial strain and on-site Coulomb repulsion is obtained using first-principles calculations. It is found that the magnetic order of monolayer 1T-CrTe2 can change from ferromagnetic to antiferromagnetic with strain and electronic correlation. Furthermore, the large exchange anisotropy and higher-order biquadratic interactions are crucial for accurately describing the spin energies in monolayer 1T-CrTe2, while the dependence of magnetocrystalline anisotropy on strain and Coulomb repulsion is explained.
Article
Chemistry, Physical
E. J. F. Conceicao, F. F. H. Aragon, Y. A. Urian, T. J. Castro, J. A. H. Coaquira, P. C. Morais, S. W. da Silva
Summary: This study investigates the structural, optical, and magnetic properties of Ce1-xGdxO2-delta nanoparticles synthesized using the polymeric precursor method. Single-phase cubic fluorite nanoparticles with a mean size of 6-4 nm were successfully fabricated. The lattice constant increases linearly with Gd-content, indicating the effective incorporation of Gd3+ ions in the cerium oxide matrix. The Raman spectroscopy analysis revealed an increase in defects concentration with increasing Gd-content. The magnetic measurements showed the coexistence of ferromagnetic and paramagnetic contributions, with the saturation magnetization reaching a maximum value for x = 0.02.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Materials Science, Multidisciplinary
Xiuxian Yang, Ping Yang, Xiaodong Zhou, Wanxiang Feng, Yugui Yao
Summary: In this study, we systematically investigate the electronic structure, magnetocrystalline anisotropy energy, magneto-optical effects, and anomalous transport properties of two-dimensional CrXY magnets. Our results show that these materials exhibit superior magneto-optical responses and anomalous transport properties, making them promising candidates for magneto-optical devices, spintronics, and spin caloritronics applications.
Article
Materials Science, Multidisciplinary
Yechen Xun, Ziye Zhu, Xiaofang Chen, Jingshan Qi
Summary: A one-dimensional ferromagnetic semiconductor CrSbSe3 with high Curie temperature and sizable magnetic anisotropy is proposed in this work, based on first-principle calculations and theoretical model. The study predicts the potential exfoliation of a 1D CrSbSe3 ladder, with a high T-C of up to 170 K, attributed to strong intraladder ferromagnetic exchange interaction and large magnetic anisotropy.
Article
Materials Science, Multidisciplinary
Xiaoyu Liu, Derek Churchill, Hae-Young Kee
Summary: The spin model for Mott insulators varies depending on the symmetries among magnetic sites, electron fillings, and their interactions. This model provides insights into mechanisms of magnetic orders and magnetic anisotropy beyond the Heisenberg model. However, for d(3) Mott insulators with large cubic crystal field splitting, such as CrX3, the single-ion anisotropy is absent within the LS coupling, despite the presence of a local moment. Further theoretical investigation is needed to explain the preferred magnetic moment directions observed in d(3) materials.
Article
Materials Science, Multidisciplinary
Jia-Wen Li, Zhen Zhang, Jing-Yang You, Bo Gu, Gang Su
Summary: Recent experiments have obtained two-dimensional (2D) van der Waals ferromagnetic semiconductors and metals, which have attracted a lot of attention. In this study, we propose a method to determine the expression of 2D Heisenberg models for these materials, using density functional theory and Wannier function calculations. The calculated results for Cr3Te6, Cr3O6, and Mn3O6 are in good agreement with experimental findings, providing a solid basis for future studies.
Article
Chemistry, Multidisciplinary
N. X. Ca, N. T. Hien, P. V. Do, V. H. Yen, K. C. Cuong, P. N. Thu, L. T. Lam, L. N. Dung, L. K. Quynh, P. V. Hao
Summary: In this study, CdTexSe1-x and CdTeSe:Gd alloy semiconductor nanocrystals were prepared, and the effects of Gd doping on their structure and optical and magnetic properties were investigated.
Article
Materials Science, Multidisciplinary
Garima Tiwari, C. Prabhakaran Vinod, Balaji R. Jagirdar
Summary: In this study, Mn(0) colloids were synthesized using different coordinating ligands, resulting in nanoparticles with varying properties. The magnetic behavior of these nanoparticles also differed depending on the coordinating ligands used.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Shuyuan Liu, Chongze Wang, Hyunsoo Jeon, Yu Jia, Jun-Hyung Cho
Summary: The surface ferromagnetism of nonmagnetic layered electrides Hf2X leads to strongly spin-polarized topological surface states, demonstrating the entanglement between anionic electrons, 2D magnetism, and band topology.
Article
Chemistry, Multidisciplinary
Samar Layek, Eran Greenberg, Stella Chariton, Maxim Bykov, Elena Bykova, Dmytro M. Trots, Alexander Kurnosov, Irina Chuvashova, Sergey Ovsyannikov, Ivan Leonov, Gregory Kh Rozenberg
Summary: The metal-insulator transition driven by electronic correlations is a fundamental concept in condensed matter physics, and it is often accompanied by charge ordering in mixed-valence compounds. In this study, the properties of mixed-valence Fe4O5 under high pressure were investigated using experimental and computational methods, revealing a series of electronic and magnetic-state transitions.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Madhushri Bhar, Sourav Ghosh, Satheesh Krishnamurthy, Kaliprasad Yalamanchili, Surendra K. Martha
Summary: This study developed an efficient method for graphite recovery from spent LIBs, which enhanced the degree of graphitization and stable discharge capacity. The practical feasibility was confirmed through a full-cell study.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Review
Multidisciplinary Sciences
Lois Damptey, Bright N. Jaato, Camila Silva Ribeiro, Silvia Varagnolo, Nicholas P. Power, Vimalnath Selvaraj, David Dodoo-Arhin, R. Vasant Kumar, Sithara Pavithran Sreenilayam, Dermot Brabazon, Vijay Kumar Thakur, Satheesh Krishnamurthy
Summary: More than 80% of wastewater worldwide is released into the environment without proper treatment. MXenes, a new class of 2D materials with tuneable interlayer spacing and tailorable surface chemistry, have shown promising potential in environmental remediation applications for wastewater treatment.
Article
Chemistry, Multidisciplinary
Yassine Cherif, Hajer Azzi, Kishore Sridharan, Seulgi Ji, Heechae Choi, Michael G. Allan, Sihem Benaissa, Karima Saidi-Bendahou, Lois Damptey, Camila Silva Ribeiro, Satheesh Krishnamurthy, Sanjay Nagarajan, M. Mercedes Maroto-Valer, Moritz F. Kuehnel, Sudhagar Pitchaimuthu
Summary: This study demonstrates a two-step synthesis of Ag nanoparticles impregnated with mesoporous TiO2 for wastewater treatment and hydrogen generation under sunlight. The Ag/TiO2 photocatalyst showed enhanced performance, effectively removing paracetamol and generating hydrogen gas. The study also explored the use of doped TiO2 and revealed the mechanisms behind the improved photocatalytic performance of Ag/TiO2.
Article
Nanoscience & Nanotechnology
Madhushri Bhar, Udita Bhattacharjee, Dhritismita Sarma, Satheesh Krishnamurthy, Kaliprasad Yalamanchili, Arup Mahata, Surendra K. Martha
Summary: Due to high consumer demand, the widespread manufacturing of lithium-ion batteries (LIBs) leads to inevitable e-waste which poses severe environmental and resource sustainability challenges. This study enhances the charge storage capability and Li-ion kinetics of recovered graphite anode from spent LIBs by using an optimized amount of recycled graphene nanoflakes (GNFs) as an additive. The WG@GNF anode shows significantly improved electrochemical performance, with higher initial discharge capacity and better capacity retention over cycles compared to WG. The synergistic effects of Li-ion intercalation and adsorption into graphite and GNF respectively, along with the unique morphology of spherical graphite particles trapped in graphene nanoflakes, contribute to the enhanced performance.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Review
Engineering, Electrical & Electronic
Kailas Kantilal Sawant, Anwesha Satapathy, Ketan Mahimkar, Satheesh Krishnamurthy, Amarjeet Kaur, Balasubramanian Kandasubramanian, Anthonisamy Arockia Bazil Raj
Summary: Camouflage against electromagnetic radiation is crucial due to the growth of wireless communication and electronic devices. MXenes have emerged as ultra-lightweight shielding materials with superior properties, and various MXene nanocomposites have been investigated to enhance their electromagnetic interference (EMI) shielding capabilities. This review provides insightful information about the multifunctional uses of MXene nanocomposites and their advances as EMI shielding materials.
JOURNAL OF ELECTRONIC MATERIALS
(2023)
Article
Multidisciplinary Sciences
Sasireka Velusamy, Anurag Roy, Ezrah Mariam, Satheesh Krishnamurthy, Senthilarasu Sundaram, Tapas K. Mallick
Summary: This study synthesized a composite of reduced graphene oxide (rGO) and zinc oxide nanorods (ZnO) called rGO@ZnO, and tested its photocatalytic performance for reducing para-nitro phenol (PNP) to para-amino phenol (PAP) under both UV and visible light irradiation. The sample rGO(5)@ZnO exhibited remarkable photocatalytic activity, achieving a PNP reduction efficiency of approximately 98% within four minutes.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Physical
Ambati Mounika Sai Krishna, Brindha Ramasubramanian, Sheik Haseena, Priyanka Bamola, Himani Sharma, Chandreswar Mahata, Alexander Chroneos, Satheesh Krishnamurthy, Mahesh Kumar Ravva, Basavaiah Chandu, Yee-Fun Lim, Avishek Kumar, Seeram Ramakrishna, Sajal Biring, Sabyasachi Chakrabortty, Goutam Kumar Dalapati
Summary: In this study, a stable and efficient CuO and graphene-incorporated (Gra-COOH) CuO nanocomposite photocathode was prepared for photoelectrochemical water splitting (PEC-WS) and hydrogen production. The CuO:Gra-COOH nanocomposite exhibited higher stability and increased photocurrent compared to bare CuO photocathode electrodes. The enhanced electrical properties of the CuO:Gra-COOH nanocomposite demonstrate its potential for use as a charge-transport layer.
Article
Chemistry, Multidisciplinary
Kavitha Shivaji, Kishore Sridharan, D. David Kirubakaran, Jayaramakrishnan Velusamy, Seyedeh Sadrieh Emadian, Satheesh Krishnamurthy, Anitha Devadoss, Sanjay Nagarajan, Santanu Das, Sudhagar Pitchaimuthu
Summary: This study demonstrates that bi-functionalizing the surface of CdS quantum dots with tea leaf extract can effectively prevent photocorrosion and reduce the release of toxic ions, leading to enhanced photocatalytic activity and improved environmental sustainability.
Review
Chemistry, Physical
Aswathy Rajan, Moorthy Dhanabakialakshmi Dhileepan, Shanmugasundaram Kamalakannan, Muthuramalingam Prakash, Satheesh Krishnamurthy, Bernaurdshaw Neppolian
Summary: The instability in aqueous solutions has hindered the effective use of metal-organic frameworks (MOFs) for various photocatalytic applications. Recent research has demonstrated that certain supports like graphitic carbon nitride (g-C3N4) can enhance water stability and fulfill other functionalities crucial for photocatalytic water splitting. To understand the mechanism behind the photoactivity of g-C3N4/MOF systems, the activity of amorphous nickel imidazole framework (aNi-MOF) is correlated with different vacancy defects (carbon and nitrogen) in engineered g-C3N4 systems. Vacancy defects significantly alter the electronic structure and properties of photoexcited charge carriers, thus affecting the photocatalytic activity of semiconductor photocatalysts. This study reveals that carbon-defective g-C3N4 with aNi-MOF (CvCN/aNi) shows potential as a photocatalyst for hydrogen evolution reaction. The results also suggest that the reactive interaction between g-C3N4 and aNi-MOF, particularly the presence of a Ni-N bond, is crucial for the photoactivity, with the carbon-defective CvCN/aNi photocatalyst exhibiting a hydrogen production rate of 3922.01 μmol g(-1) in 3 hours, which is 3900 and 1700 times higher compared to pristine aNi-MOF and g-C3N4, respectively. This report provides insights into the reactive mechanism in g-C3N4/MOF systems and the role of defects in photocatalytic hydrogen evolution reactions.
ACS APPLIED ENERGY MATERIALS
(2023)
Review
Materials Science, Multidisciplinary
Avishek Dey, Silvia Varagnolo, Nicholas P. Power, Naresh Vangapally, Yuval Elias, Lois Damptey, Bright N. Jaato, Saianand Gopalan, Zahra Golrokhi, Prashant Sonar, Vimalnath Selvaraj, Doron Aurbach, Satheesh Krishnamurthy
Summary: Since 2011, MXenes, a type of 2D transition metal carbides, carbonitrides, and nitrides, have attracted significant attention due to their unique chemical and electronic properties. Doping MXenes with metallic and non-metallic elements has emerged as an exciting approach to enhancing their properties for various applications. This review provides a comprehensive overview of recent advancements in the field of doped MXenes, including different doping strategies, characterization techniques, enhanced properties, and potential applications in fields such as electrocatalysis, energy storage, photovoltaics, electronics, photonics, environmental remediation, sensors, and biomedical applications.
PROGRESS IN MATERIALS SCIENCE
(2023)
Article
Chemistry, Physical
Andressa S. Correa, Lucas G. Rabelo, Washington S. Rosa, Niqab Khan, Satheesh Krishnamurthy, Sherdil Khan, Renato V. Goncalves
Summary: In this study, magnetron sputtering deposition was used to deposit cocatalyst layers on BiVO4 photoanodes to induce p-n heterojunctions and suppress charge recombination. The results showed that the BiVO4/FeMnOx heterojunction exhibited the highest photocurrent density and excellent chemical stability. The interfacial band alignment and charge transport properties were investigated using experimental and theoretical techniques, revealing the potential barriers for electron flow and the larger space charge region in the BiVO4/FeMnOx film.
Review
Engineering, Environmental
Amrita Nighojkar, Karl Zimmermann, Mohamed Ateia, Benoit Barbeau, Madjid Mohseni, Satheesh Krishnamurthy, Fuhar Dixit, Balasubramanian Kandasubramanian
Summary: With increasing environmental awareness, biomaterials have attracted attention as sustainable materials for adsorbing hazardous water contaminants. However, the complex nonlinear interactions between adsorbent properties and process attributes present challenges. Artificial neural networks have been utilized to understand metal adsorption processes on biomaterials, with applications in environmental remediation and water reuse.
ENVIRONMENTAL SCIENCE-ADVANCES
(2023)
Article
Materials Science, Multidisciplinary
G. M. Li, Z. J. Peng, X. L. Chen, K. H. Ding, P. Sorokin, A. Perumal, J. H. Chen, X. D. Xu
Summary: This study investigates the microstructure and magnetic properties of a sintered magnet with Ce substitutions. The addition of Ce resulted in lattice contraction, with further increase in Ce content leading to a suppression in lattice contraction. The magnets with higher Ce content exhibited the REFe2 phase at the expense of a reduced mass fraction of the REOx phase. The valence state of Ce changed from a mixed state to a trivalent state, and a bi-layer interfacial structure was formed between the RE2Fe14B and the REFe2 phases.
Article
Materials Science, Multidisciplinary
Subrata Biswas, Gajendra Singh Bisht, Perumal Alagarsamy, Ananthakrishnan Srinivasan
Summary: A comprehensive study on the structural, electronic, and magnetic properties of Co-substituted Fe2CrSi Heusler alloys was conducted. The effect of rapid solidification on the formation of pure phase Fe2CrSi alloy was also investigated. The results revealed that Fe2CrSi alloys with Co substitution in the range of 0.2 <= x <= 0.5 exhibited a single L21 phase structure, while those with x = 0 and 0.1 had impurity phases coexisting with the L21 phase. The high speed melt-spinning process resulted in higher purity in the alloy samples. First principles calculations showed that the single phase ribbon sample exhibited disorder, indicating a change in site preference due to solidification rate. The magnetic moments of the alloys were consistent with the Slater-Pauling rule. Fe2Cr0.75Co0.25Si alloy was suggested as a promising candidate for spintronic device applications due to its half-metallic nature.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2023)