Article
Materials Science, Multidisciplinary
Heike C. Herper, Konstantin P. Skokov, Semih Ener, Patrik Thunstroem, Leopold V. B. Diop, Oliver Gutfleisch, Olle Eriksson
Summary: This study presents a comprehensive theoretical and experimental investigation of the magnetic properties of NdFe11Ti and RE-free YFe11Ti, aiming to elucidate the influence of the 4f electrons. The localized 4f electrons of Nd are found to be the driving force behind the complex magnetocrystalline anisotropy behavior, transitioning from cone to uniaxial above 170 K. The experimental data are compared with density functional theory, supplemented with a Hartree-Fock correction (+U) and an approximate dynamical mean-field theory.
Article
Chemistry, Inorganic & Nuclear
Yan Li, Ya You, Pu Zhao, Bo Ding, Nan Zhang, Zhong-Yi Liu, En-Cui Yang, Xiao-Jun Zhao
Summary: The two new mononuclear Dy(III) compounds exhibit different magnetic behaviors due to the substitution of different carboxylate ligands, with compound 2 showing better single-molecule magnet behavior than compound 1.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Chemistry, Inorganic & Nuclear
Yiwei Zhou, Christian D. Buch, Steen H. Hansen, Stergios Piligkos
Summary: By reacting the trigonal lanthanide complexes LnL with 1-octadecylamine, the aldehyde groups are transformed to 1-octadecylimine groups, forming the novel aliphatic lanthanide complexes LnL(18) (Ln = Yb, Lu). The crystal structure of YbL18 shows that the reaction leads to subtle changes in the coordination sphere of Yb(iii), while the octadecyl chains direct crystal packing into lipophilic arrays. The static magnetic properties and energy level splitting of YbL18 are compared to those of the non-derivatised complex YbL.
DALTON TRANSACTIONS
(2023)
Review
Chemistry, Inorganic & Nuclear
Markus Suta, Fanica Cimpoesu, Werner Urland
Summary: This review introduces an alternative approach in ligand field theory, the chemically intuitive angular overlap model (AOM), which allows for the decomposition of metal-ligand bonds in any coordination geometry to describe the properties of rare earth ions. AOM is shown to have advantages over the traditional Wybourne-parametrized method in semi-quantitatively describing the opto-magnetic properties of rare earth ions through carefully selected examples.
COORDINATION CHEMISTRY REVIEWS
(2021)
Article
Chemistry, Applied
You-Song Ding, Yan-Zhen Zheng
Summary: The study focuses on the anisotropic magnetocaloric effect in a Dy(III) single molecule magnet, and the high magnetic anisotropy allows it to be used as a rotating magnetic refrigerant at low temperatures. The angular dependent magnetization can be observed in single crystals due to its high magnetic anisotropy, making it a promising candidate for low-temperature applications.
JOURNAL OF RARE EARTHS
(2021)
Article
Nanoscience & Nanotechnology
Youjin Lee, Suhan Son, Chaebin Kim, Soonmin Kang, Junying Shen, Michel Kenzelmann, Bernard Delley, Tatiana Savchenko, Sergii Parchenko, Woongki Na, Ki-Young Choi, Wondong Kim, Hyeonsik Cheong, Peter M. Derlet, Armin Kleibert, Je-Geun Park
Summary: Van der Waals magnets are ideal for tailoring 2D magnetism, and this study investigates the microscopic origin of magnetic order in the antiferromagnetic system FePS3. The experiments reveal a giant out-of-plane magnetic anisotropy and unquenched magnetic orbital moments. Calculations suggest that the Ising magnetism in FePS3 is a manifestation of spin-orbit entanglement in the Fe 3d electron system.
ADVANCED ELECTRONIC MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Yingying Wu, Brian Francisco, Zhijie Chen, Wei Wang, Yu Zhang, Caihua Wan, Xiufeng Han, Hang Chi, Yasen Hou, Alessandro Lodesani, Gen Yin, Kai Liu, Yong-tao Cui, Kang L. Wang, Jagadeesh S. Moodera
Summary: Introducing magnetic skyrmions into two-dimensional van der Waals magnets provides additional degrees of freedom for skyrmion-based ultrahigh-density spin memory devices, leading to intriguing new properties and enhanced functionality. In this work, a van der Waals interface formed by two 2D ferromagnets is reported, where two groups of magnetic skyrmions are observed.
ADVANCED MATERIALS
(2022)
Review
Chemistry, Inorganic & Nuclear
Walter Canon-Mancisidor, Gabriela Paredes-Castillo, Patricio Hermosilla-Ibanez, Diego Venegas-Yazigi, Olivier Cador, Boris Le Guennic, Fabrice Pointillart
Summary: The plasticity of coordination chemistry of Lanthanoid ions allows the design of novel coordination compounds with slow relaxation of magnetization, including hybrid complexes with both organic and inorganic ligands. By optimizing the combination of organic and inorganic ligands, the magnetic properties of Lanthanoid complexes can be improved.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Qiong Yuan, Yin-Shan Meng, Yi-Quan Zhang, Chen Gao, Shan-Shan Liu, Bing-Wu Wang, Song Gao
Summary: The synthesis of fluoride-bridged dysprosium complexes and their magnetic properties are reported in this study. The nucleation of the complexes is influenced by the reaction solvents and the molar ratio of dysprosium and fluoride precursors. The synthesized trinuclear complex shows a triangular arrangement, while the tetranuclear complex displays a butterfly shape geometry. Fluoride ions have a significant influence on the orientation of the easy axis of magnetization and the exchange interactions.
INORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Inorganic & Nuclear
Yuzhu Li, Jing Xi, Jesus Ferrando-Soria, Yi-Quan Zhang, Wenyuan Wang, You Song, Yan Guo, Emilio Pardo, Xiangyu Liu
Summary: This study focuses on the synthesis and characterization of two iron(II) complexes, and discovers the significant influence of magnetic anisotropy on field-induced single-ion magnet behavior. Notably, butterfly hysteresis loops were observed in the complexes.
DALTON TRANSACTIONS
(2022)
Review
Chemistry, Multidisciplinary
Jeotikanta Mohapatra, Meiying Xing, Jacob Elkins, Julian Beatty, J. Ping Liu
Summary: The study found that the design of high coercivity ferromagnetic materials can be achieved by considering factors such as nanowire diameter, alignment, and packing density. Analysis based on experimental results and literature reveals a coercivity ceiling in consideration of geometrical dimensions and effective magnetic anisotropy.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Celine Pichon, Nicolas Suaud, Valentin Jubault, Carine Duhayon, Nathalie Guihery, Jean-Pascal Sutter
Summary: Trinuclear metal complexes were synthesized to investigate their influence on the magnetic anisotropy of Fe-II derivatives and their Single-Molecule Magnet behaviors, revealing a significant effect of the bending of M-N to C linkages on the slow relaxation of magnetization in [Cr2Fe] complexes. Theoretical calculations emphasized the importance of apical C-N-Fe linkages on the magnetic anisotropy and exchange interactions in these complexes.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Inorganic & Nuclear
Maria Savva, Dimitris I. Alexandropoulos, Michael Pissas, Spyros P. Perlepes, Constantina Papatriantafyllopoulou, Yiannis Sanakis, Anastasios J. Tasiopoulos
Summary: The synthesis, crystal structures, Mossbauer spectra, and magnetic susceptibility studies of a new family of trinuclear heterometallic Fe3+/Ln(3+) complexes are reported. The complexes exhibit weak antiferromagnetic interactions between the Fe3+ ions and slow-magnetic relaxation processes in 1/Dy. The Mossbauer spectroscopy results show distinct magnetic relaxation effects for the different complexes.
DALTON TRANSACTIONS
(2023)
Review
Chemistry, Multidisciplinary
Chen Wang, Yin-Shan Meng, Shang-Da Jiang, Bing-Wu Wang, Song Gao
Summary: Single-molecule magnets (SMMs) with slow magnetization relaxation and purely molecular hysteresis are promising for information storage, spintronics, and quantum computing. Improving the blocking temperature (T-B) and effective relaxation barrier (U-eff) is crucial for their application. Multidisciplinary research has achieved SMMs with a U-eff up to 2,000 K and a T-B in the liquid nitrogen region. Enhancing the uniaxiality of magnetic anisotropy is critical for high-performance SMMs.
SCIENCE CHINA-CHEMISTRY
(2023)
Article
Chemistry, Physical
Kavita Kumari, Shalendra Kumar, Akshay Kumar, Mohit K. Sharma, Naveen Yadav, Su-Jeong Park, Jong-Seop Kim, Seok-Hwan Huh, Bon-Heun Koo
Summary: In this study, alpha-FeCo nanoparticles and nanowires were prepared using the hydrazine reduction method, and their magnetic properties were investigated. The results showed that the magnetic properties of the nanowires were enhanced by applying an external magnetic field during synthesis, which aligned the crystallites and the easy axis of FeCo along the long axis of the nanowires.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Inorganic & Nuclear
Alvaro Seijas-Da Silva, Jose Alberto Carrasco, Bruno J. C. Vieira, Joao C. Waerenborgh, Eugenio Coronado, Gonzalo Abellan
Summary: In this study, a hybrid NiFe-LDH family is synthesized through anion exchange reactions using surfactant molecules, increasing the interlayer space and achieving complete magnetic decoupling of the layers. The results of magnetic analysis and Mossbauer spectroscopy validate the potential of molecular engineering for designing hybrid layered magnetic materials approaching the 2D magnetic limit.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Victor Garcia-Lopez, Hanane El Mansour El Jastimi, Jana Jurakova, Miguel Clemente-Leon, Eugenio Coronado
Summary: In this study, three solvatomorphs of a two-nucleus iron(II) complex were synthesized and characterized. These solvatomorphs exhibited interesting spin crossover properties and could retain their crystallinity while allowing for the entrance or removal of solvent molecules through vapor diffusion. The spin crossover properties of the complex could be reversibly tuned by exposure to different solvents.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Physical
Andrew Palii, Denis Korchagin, Ksenya Kondrina, Sergey Aldoshin, Shmuel Zilberg, Boris Tsukerblat
Summary: This study generalizes the theory of magnetic coupling between localized spins to a trigonal, six-center, four-electron molecule with partial valence delocalization. The combination of electron transfer within the valence-delocalized subsystem and interatomic exchange leads to a special kind of double exchange (DE) called external core double exchange (ECDE). The study compares the effect of ECDE on the ground spin state of the trigonal molecule with the effect produced by DE in a four-electron, mixed-valence (MV) trimer. The results show a high diversity of ground spin states depending on the relative magnitudes and signs of transfer and exchange parameters, suggesting potential applications in molecular electronics and spintronics.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Physics, Multidisciplinary
Mattias Matthiesen, Jorrit R. Hortensius, Samuel Manas-Valero, Itzik Kapon, Dumitru Dumcenco, Enrico Giannini, Makars Siskin, Boris A. Ivanov, Herre S. J. van der Zant, Eugenio Coronado, Alexey B. Kuzmenko, Dmytro Afanasiev, Andrea D. Caviglia
Summary: The research focuses on investigating optical methods for generating coherent magnons in antiferromagnetic insulators. It is found that orbital transitions are key targets for magnetic control in insulators with zero orbital angular momentum.
PHYSICAL REVIEW LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Diego Lopez-Alcala, Alberto M. Ruiz, Jose J. Baldovi
Summary: Layered magnetic metal-organic frameworks (MOFs) have the potential to achieve high-TC magnetism at the 2D limit. This study investigates the exfoliation feasibility and analyzes the structural, electronic, magnetic, and vibrational properties of VCl2(pyz)(2) and CrCl2(pyz)(2) by first-principles calculations. The spin-phonon coupling (SPC) and thermal evolution of magnetic properties are also analyzed, providing insights for improving the performance of these magnetic 2D MOFs.
Article
Materials Science, Multidisciplinary
Jan N. Kirchhof, Yuefeng Yu, Denis Yagodkin, Nele Stetzuhn, Daniel B. de Araujo, Kostas Kanellopulos, Samuel Manas-Valero, Eugenio Coronado, Herre van der Zant, Stephanie Reich, Silvan Schmid, Kirill Bolotin
Summary: Nanomechanical spectroscopy (NMS) is a new approach to determine optical absorption spectra of nanoscale materials via mechanical measurements. It directly measures absorption by measuring changes in the resonance frequency of a membrane resonator. In this study, a protocol for NMS of 2D materials is developed, which improves sensitivity and simplifies the experiment. The use of low-stress silicon nitride membranes as the substrate reduces noise-equivalent power.
Article
Chemistry, Multidisciplinary
Francisco Marques-Moros, Carla Boix-Constant, Samuel Manas-Valero, Josep Canet-Ferrer, Eugenio Coronado
Summary: We conducted a comprehensive optical characterization of the van der Waals semiconductor metamagnet CrSBr using temperature- and magnetic-field-dependent photoluminescence. We observed a characteristic peak that disappeared when switching the ferromagnetic layers and exhibited a different temperature dependence from excitonic peaks. This peak's contribution to photoluminescence was enhanced around 30-40 K, coinciding with the hidden order magnetic transition temperature. Our findings reveal the connection between optical and magnetic properties through the ionization of magnetic donor vacancies and demonstrate the potential of designing 2D heterostructures with magnetic and excitonic properties.
Article
Chemistry, Multidisciplinary
Maurits J. A. Houmes, Samuel Manas-Valero, Alvaro Bermejillo-Seco, Eugenio Coronado, Peter G. Steeneken, Herre S. J. van der Zant
Summary: This article investigates the structural anisotropy of CrPS4 and its relationship with magnetic phase transitions and discovers different mechanical response behavior compared to previously studied van der Waals magnets. The results demonstrate the potential of CrPS4 in the field of low-dimensional magnetism and show the potential of mechanical resonators in studying structural modifications in 2D materials and van der Waals heterostructures.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Review
Chemistry, Multidisciplinary
Ramon Torres-Cavanillas, Miguel Gavara-Edo, Eugenio Coronado
Summary: The field of spin-crossover complexes is transitioning from studying the spin transition phenomenon to its application in molecular electronics. Processing spin-crossover materials as nanoparticles is a convenient way to maintain the bistability and reduce size. This paper reviews the recent advances in the chemical design of these nanoparticles and their integration into electronic devices, while also focusing on integrating them with 2D materials to improve device endurance and spin state detection.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Yishay Zur, Avia Noah, Carla Boix-Constant, Samuel Manas-Valero, Nofar Fridman, Ricardo Rama-Eiroa, Martin E. Huber, Elton J. G. Santos, Eugenio Coronado, Yonathan Anahory
Summary: This work demonstrates direct magnetic imaging of CrSBr flakes using nano-SQUID-on-tip (SOT) microscopy. It is found that the ferromagnetic order and the antiferromagnetic coupling are preserved down to the monolayer. Additionally, spin reorientation and the formation of Neel magnetic domain walls are observed even in the single-layer limit. This highlights the remarkable stability of CrSBr in the 2D limit.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Gabriele Baglioni, Makars Siskins, Maurits Houmes, Martin Lee, Dong Hoon Shin, Samuel Manas-Valero, Eugenio M. Coronado, Yaroslav Blanter, Herre S. J. G. van der Zant, Peter Steeneken
Summary: Magnetostrictive coupling has become a sensitive method for studying magnetism in 2D materials by mechanical means. In this study, we optothermally modulate the magnetization in antiferromagnetic 2D material membranes to induce a high-frequency magnetostrictive driving force. The thermo-magnetostrictive effect near the critical temperature of magnetostrictive 2D materials provides a route for more efficient actuation of nano-magnetomechanical devices and studying the coupling among magnetic, mechanical, and thermodynamic degrees of freedom.
Article
Nanoscience & Nanotechnology
D. Khusyainov, T. Gareev, V. Radovskaia, K. Sampathkumar, S. Acharya, M. Siskins, S. Manas-Valero, B. A. Ivanov, E. Coronado, Th. Rasing, A. V. Kimel, D. Afanasiev
Summary: Using a time-resolved magneto-optical pump-probe technique, the ultrafast laser-induced dynamics of mutually correlated spins and lattice in CoPS3 were experimentally studied. It was found that the femtosecond laser pulse acted as an ultrafast heater and melted the antiferromagnetic order. The resonant pumping of the T-4(1g) ? T-4(2g) electronic transition in Co2+ ions effectively changed their orbital momentum and generated a coherent B-g phonon mode.
Article
Chemistry, Physical
Andrew Palii, Valeria Belonovich, Boris Tsukerblat
Summary: The impacts of electronic and vibronic interactions on the specific heat release during the nonadiabatic switching of electric field polarization in a one-electron mixed-valence dimer are analyzed using the Piepho-Krausz-Schatz vibronic model. The study aims to find an optimal parameter regime to minimize heat release while maintaining a strong nonlinear response of the dimer to the electric field. Quantum mechanical vibronic calculations reveal that a weak electric field, combined with weak vibronic coupling and/or strong electron transfer, leads to minimal heat release, but it is incompatible with the requirement of a strong nonlinear response. On the contrary, molecules with strong vibronic interactions and/or weak transfer exhibit a rather strong nonlinear response even under a very weak electric field, ensuring low heat release.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Yulia P. P. Tupolova, Vladimir E. E. Lebedev, Denis V. V. Korchagin, Valery V. V. Tkachev, Andrey N. N. Utenyshev, Roman B. B. Morgunov, Andrei V. V. Palii, Igor N. N. Shcherbakov, Sergey M. M. Aldoshin
Summary: A hexacoordinated Co(ii) complex of [CoL(NCS)(2)]center dot 2DMSO (1) has been synthesized and characterized. The Co(ii) coordination polyhedron is distorted towards trigonal prismatic symmetry due to the helix-like distortion of the complex. Complex 1 shows slow magnetization relaxation in an applied DC magnetic field of 1000 Oe, which is well described by the Raman mechanism. The performed CASSCF+NEVPT2 calculations provide clear insight into the origin of the magnetic anisotropy in 1.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Physical
Miguel Gavara-Edo, Francisco Javier Valverde-Munoz, M. Carmen Munoz, Safaa Elidrissi Moubtassim, Francisco Marques-Moros, Javier Herrero-Martin, Kateryna Znovjyak, Maksym Seredyuk, Jose Antonio Real, Eugenio Coronado
Summary: Materials based on spin crossover molecules have attracted significant attention in molecular magnetism. This study presents a novel spin crossover material that can form thermally stable thin films while retaining its molecular bistability.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Michal Novotny, Matus Dubecky, Frantisek Karlicky
Summary: This paper investigates the accuracy of different DFT-based computational approaches in calculating the equilibrium lattice constants and exfoliation energy of hexagonal boron nitride (h-BN). The results are compared with experiments and reference QMC calculations to evaluate the accuracy of these computational methods.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Luigi Crisci, Federico Coppola, Alessio Petrone, Nadia Rega
Summary: The charge transfer dynamics in asymmetrically substituted indenotetracene molecules upon photo-excitation were investigated using real-time time-dependent density functional theory simulations. The study found that the electron-donating character of the substituents affects the overall electronic energy spacing and ultrafast charge transfer dynamics.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Vasilii Korotenko, Hendrik Zipse
Summary: The stability of various radicals and molecules has been studied using different theoretical methods, and good correlations between theoretical calculations and experimental results have been found. The effects of hydrogen bonding interactions on the stability of oxygen-centered radicals have also been investigated.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Oleg Egorov, Michael Rey, Dominika Viglaska, Andrei V. Nikitin
Summary: In this work, the rovibrational energy levels of four isotopologues of methylene were calculated using a new accurate ab initio potential energy surface. The accuracy of the calculations was improved by considering scalar relativistic effects, DBOC, and high-order electronic correlations. For the first time, all available experimental rovibrational transitions were reproduced with high accuracy, without any empirical corrections.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2024)
