Article
Chemistry, Physical
Meng-Ru Cong, Chin-Wei Wang, Wei-Jun Ren, Maxim Avdeev, Chris D. Ling, Fei Gao, Bing Li, Zhi-Dong Zhang
Summary: We have successfully grown alpha-DyGa3 single crystals by the self-flux method and determined its magnetic structure using neutron powder diffraction. Alpha-DyGa3 crystallizes in a unique rhombohedral structure and possesses a specific antiferromagnetic structure.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Materials Science, Multidisciplinary
Santanu Pakhira, A. Morozkin, Maxim Avdeev, Chandan Mazumdar
Summary: The ternary intermetallic compound Tb2Ni0.90Si2.94 of AlB2 type shows spin freezing behavior of ferromagnetic clusters and spatially limited antiferromagnetic phase at temperatures below 9.9 K. Neutron diffraction study reveals a non-collinear sine-modulated antiferromagnetic ordering in the ab-plane with wave vectors down to 1.7 K, confirming the short-range nature of the antiferromagnetic phase.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2021)
Article
Physics, Condensed Matter
A. N. Matveeva, I. A. Zobkalo, A. Sazonov, A. L. Freidman, S. V. Semenov, M. I. Kolkov, K. Yu Terentjev, N. S. Pavlovskiy, K. A. Shaykhutdinov, V. Hutanu
Summary: The effect of substituting Dy by Ho on the magneto-electric behavior of Dy0.8Ho0.2MnO3 was studied using polarized and classical neutron diffraction, as well as macroscopic methods. It was found that substituting 20% of Dy with Ho did not change the overall crystal symmetry of the compound, which remained of Pbnm type at very low temperatures. The magnetic ordering, temperature, and field evolution were determined using single crystal neutron diffraction and magnetization measurements. The presence of a chiral magnetic structure on the Mn subsystem was confirmed below Tc & AP;16 K. Polarized neutron diffraction revealed that the rare earth magnetic ordering in Dy0.8Ho0.2MnO3 had a 3-component character, in contrast to DyMnO3. It was shown that doping with 20% Ho suppressed the spontaneous rare-earth ordering and allowed for coherent incommensurate spatial propagation between the manganese and rare earth subsystems. The study also demonstrated the strong magneto-electric coupling in the multiferroic phase, as evidenced by the direct influence of an external electric field on the magnetic chirality. The correlation between microscopic and macroscopic investigations was established by studying electric polarization under similar temperatures and fields on the same samples.
PHYSICA B-CONDENSED MATTER
(2023)
Article
Materials Science, Multidisciplinary
Jiawang Xu, Xinqi Zheng, Lei Xi, Xucai Kan, Bin Bao, Tianping Ma, Yipeng Zang, Dingsong Wang, Yawei Gao, Juping Xu, Wen Yin, Baogen Shen, Shouguo Wang
Summary: Research on magnetic refrigeration has shifted its focus to lower operating temperatures, which is crucial for the use of liquid helium and hydrogen in aerospace and advanced industries. This study demonstrates significant improvement in magnetocaloric effects and magnetic materials operating in the desired temperature range. The findings have promising applications in helium-hydrogen liquefaction.
APPLIED MATERIALS TODAY
(2023)
Article
Materials Science, Multidisciplinary
Matthew P. Clay, Raimundas Sereika, Wenli Bi, Yogesh K. Vohra
Summary: We investigated the magnetic ordering of heavy lanthanide terbium (Tb) at high pressures and low temperatures. Different phases of Tb, such as dhcp, hR24, and oF16 phases at varying pressures were studied using synchrotron x-ray diffraction and neutron diffraction. We observed spontaneous magnetostriction in dhcp and hR24 phases, where low-temperature magnetic ordering led to subtle splitting in x-ray diffraction peaks. The neutron diffraction study of the dhcp phase confirmed magnetic peaks assigned to a specific propagation vector, consistent with the magnetostriction observed with x-ray diffraction. In the oF16 phase at ultra-high compression, there was no evidence of magnetostriction, indicating a significant decrease in the magnetic moment.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2023)
Article
Chemistry, Inorganic & Nuclear
Yifei Zhang, Joakim Brorsson, Takashi Kamiyama, Takashi Saito, Paul Erhart, Anders E. C. Palmqvist
Summary: This study investigates the chemical ordering in quaternary clathrates Ba8AlxGa16-xGe30, revealing differences in site occupancy factors of trivalent elements and atomic displacement patterns of Ba atoms based on synthesis methods. The research demonstrates key relationships between chemical ordering and structural properties, providing new insights for designing and optimizing thermoelectric materials.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Manohar H. Karigerasi, Bao H. Lam, Maxim Avdeev, Daniel P. Shoemaker
Summary: The magnetic structure of monoclinic Mn3As2 was studied at 3 K and 250 K, revealing different magnetic orders at different temperatures. This provides valuable insight into the factors governing magnetic ordering in Mn-As compounds.
JOURNAL OF SOLID STATE CHEMISTRY
(2021)
Article
Chemistry, Physical
Stanislaw Baran, Aleksandra Deptuch, Manfred Reehuis, Yuriy Tyvanchuk, Fabiano Yokaichiya, Andrzej Szytula
Summary: The RE5Pd2In4 (RE = Tb-Tm) compounds exhibit complex magnetic structures and temperature-induced magnetic ordering transitions at low temperatures. Each rare-earth element has different magnetic ordering temperatures and structures, including ferromagnetic, antiferromagnetic, and ferrimagnetic characteristics.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Inorganic & Nuclear
Kashifa Fazl-Ur-Rahman, Ganga Periyasamy
Summary: Density functional theory was used to investigate the structure and reactivity of various perovskite materials, including iron-doped perovskites and perovskites with oxygen vacancies. The study revealed stable structures and potential applications of these materials.
JOURNAL OF SOLID STATE CHEMISTRY
(2023)
Article
Chemistry, Physical
Olof Gustafsson, Jolla Kullgren, William Robert Brant
Summary: The spinel cathode LiNi0.5Mn1.5O4 (LNMO) has potential for battery applications, but its cycling stability needs to be improved. LNMO suffers from rapid capacity loss during cycling, especially in its ordered form. In this study, in situ neutron diffraction was used to investigate the ordering temperature and thermal stability of LixNi0.5Mn1.5O4 (0.000 (10) < x < 0.675 (10)). The results showed that the temperature for Ni and Mn ordering was significantly lowered to 310-320 degrees C for certain compositions, attributed to a lower energy barrier for formation of intermediate Frenkel defect states. Additionally, Li ordering and the formation of NiMn2O4- and NiMnO3-type phases were observed. These findings highlight the importance of suppressing transition metal reorganization in LiNi0.5Mn1.5O4 to improve its cycling stability.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Chemistry, Physical
A. M. Balagurov, I. A. Bobrikov, S. V. Sumnikov, I. S. Golovin
Summary: The evolution of structural phases and morphology of microstructure in Fe-xAl and Fe-xGa compositions were studied. It was found that changes in Al or Ga content and temperature can lead to the formation of an ordered structure and a decrease in unit-cell parameter. Specific microstructures in the form of mesoscopic clusters were observed within certain composition ranges.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Physics, Multidisciplinary
Attila Szabo, Fabio Orlandi, Pascal Manuel
Summary: We study the near-neighbor and dipolar Ising models on a lattice of corner-sharing octahedra. The frustration between antiferromagnetism and a spin-ice-like three-in-three-out rule leads to a Coulomb phase with correlated dipolar and quadrupolar spin textures, showing distinct neutron-scattering signatures. Strong further-neighbor perturbations result in independent ordering of the two components, leading to unusual multi-k orders. We propose experimental realizations of our model in rare-earth antiperovskites.
PHYSICAL REVIEW LETTERS
(2022)
Article
Nanoscience & Nanotechnology
Bo Jiang, Krishna Chaitanya Pitike, De-Ye Lin, Stephen C. Purdy, Xin Wang, Yafan Zhao, Yuanpeng Zhang, Peter Metz, Antonio Macias, Harry M. Meyer III, Albina Y. Borisevich, Jiaqiang Yan, Valentino R. Cooper, Craig A. Bridges, Katharine Page
Summary: A comprehensive assessment of lanthanum-deficient Lan+1BnO3n+1 (n = 1, B = Mg, Co, Ni, Cu, Zn) reveals chemical short-range order (CSRO) at the B-site and controllable excess interstitial oxygen (d) in Ruddlesden-Popper (RP) layered perovskite compounds. Neutron pair distribution function analysis uncovers the existence of CSRO and excess oxygen, while simulations and analysis confirm a moderate degree of magnetic element segregation and Jahn-Teller distortion. These findings provide potential opportunities to control local order/disorder and excess oxygen in RP-CCOs, and suggest the need for further theoretical and data modeling approaches.
Article
Multidisciplinary Sciences
Xubin Ye, Jianfa Zhao, Hena Das, Denis Sheptyakov, Junye Yang, Yuki Sakai, Hajime Hojo, Zhehong Liu, Long Zhou, Lipeng Cao, Takumi Nishikubo, Shogo Wakazaki, Cheng Dong, Xiao Wang, Zhiwei Hu, Hong-Ji Lin, Chien-Te Chen, Christoph Sahle, Anna Efiminko, Huibo Cao, Stuart Calder, Ko Mibu, Michel Kenzelmann, Liu Hao Tjeng, Runze Yu, Masaki Azuma, Changqing Jin, Youwen Long
Summary: The crystal structure of PbFeO3 is an unusual orthorhombic perovskite super unit cell with distinctive charge ordering. The presence of two different oxidation states of Pb and Fe leads to long range charge ordering in the -A-B-B- layers. The material exhibits weak ferromagnetic transition at 600K and spin reorientation towards a collinear antiferromagnetic structure at a lower temperature.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Inorganic & Nuclear
Qiang Zhang, Yohann Breard, Vincent Hardy
Summary: The preparation, complex magnetic properties, and room-temperature magnetocaloric effect of Nd(Cu3-xMnx)-Mn4O12 compounds with cation distribution have been studied. The compounds exhibit high refrigerant capacity values at room temperature.
INORGANIC CHEMISTRY
(2022)
Article
Physics, Multidisciplinary
B. Massani, J. S. Loveday, J. J. Molaison, A. M. dos Santos, X. P. Wang, L. L. Daemen, B. Haberl, R. Boehler, M. Guthrie
HIGH PRESSURE RESEARCH
(2020)
Article
Materials Science, Multidisciplinary
Vladimir Zverev, Radel R. Gimaev, Takafumi Miyanaga, Artem A. Vaulin, Andrei F. Gubkin, Boris B. Kovalev, Antonio M. dos Santos, Edmund Lovell, Lesley F. Cohen, Nikolai A. Zarkevich
Summary: By analyzing the coexistence of antiferromagnetic and ferromagnetic phases in bulk iron-rhodium and its alloys, the temperature dependencies and magnetic features were revealed, along with the observed effect of Pd concentration on hysteresis behavior. Direct magnetic measurements using scanning Hall probe microscopy showed the spatial distribution of phase transition, revealing the coexistence scale and progression under an external magnetic field in Pd-doped FeRh alloys.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Kalaiselvan Ganesan, Govindaraj Lingannan, Kannan Murugesan, Christopher S. Perreault, Gopi K. Samudrala, Pankaj Kumar Maheshwari, V. P. S. Awana, Ponniah Vajeeston, Yogesh K. Vohra, S. Arumugam
Summary: The study reveals that under high pressure, the superconducting properties of Fe0.99Ni0.01Se0.5Te0.5 superconductor undergo changes as pressure increases, leading to an increase in Tc from 14.8 K to 30.5 K before gradually decreasing after 7.5 GPa. Structural transformation occurs from tetragonal phase to hexagonal phase, remaining stable at 52 GPa.
JOURNAL OF MATERIALS RESEARCH
(2021)
Article
Chemistry, Inorganic & Nuclear
Keith Lawler, Dean Smith, Shaun R. Evans, Antonio M. dos Santos, Jamie J. Molaison, Jan-Willem G. Bos, Hannu Mutka, Paul F. Henry, Dimitri N. Argyriou, Ashkan Salamat, Simon A. J. Kimber
Summary: The study of CuMnO2 reveals that high pressure decouples different degrees of freedom, leading to an isostuctural phase transition at around 10 GPa with a reversible collapse of the c-axis. High pressure selectively activates the dynamical instabilities of Cu+ cations, with a predicted reemergence of magnetism at the highest pressures.
INORGANIC CHEMISTRY
(2021)
Article
Physics, Multidisciplinary
Kevin M. Hope, Christopher S. Perreault, Yogesh K. Vohra
Summary: This study investigates the high pressure structural phase transitions in heavy lanthanide metal Dysprosium (Dy) and reassigns the previously determined phase above 72 GPa to an orthorhombic phase with sixteen atoms per cell. The equation of state up to 202 GPa reveals a volume change of 2.3% during the structural phase transition from distorted face-centered cubic phase to the orthorhombic phase. Furthermore, the ultrahigh pressure structural phases of Dy are compared with other members of the lanthanide series.
HIGH PRESSURE RESEARCH
(2022)
Article
Chemistry, Physical
B. Pimentel, V. M. Andrade, V. G. de Paula, K. R. Pirota, F. Beron, M. A. Cardoso, J. N. Goncalves, J. S. Amaral, A. M. dos Santos, M. S. Reis
Summary: The competition between stability of cubic and hexagonal full Heusler alloys was studied by analyzing the Fe2Mn(Si1-xGex) system. The hexagonal phases were found to form for x >= 0.6, increasing monotonically with x until pure hexagonal Fe2MnGe. Both cubic and hexagonal magnetic features were qualitatively reproduced by Density Functional Theory (DFT) calculations, providing a foundation for further design of Heusler systems with controlled structures and magnetic properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Physics, Applied
Christopher Perreault, Larissa Q. Huston, Kaleb Burrage, Samantha C. Couper, Lowell Miyagi, Eric K. Moss, Jeffrey S. Pigott, Jesse S. Smith, Nenad Velisavljevic, Yogesh Vohra, Blake T. Sturtevant
Summary: This study measured the yield strength of tantalum at extreme pressures using x-ray diffraction methods. The results showed that the yield strength of tantalum increases with increasing pressure in extreme conditions.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Physics, Multidisciplinary
Takahiro Matsuoka, Amanda Haglund, Rui Xue, Jesse S. Smith, Maik Lang, Antonio M. dos Santos, David Mandrus
Summary: The study found that the pressure-induced insulator to metal transition in layered magnetic nickel phosphorous tri-sulfide NiPS3 occurs at 35 GPa, with no evidence of superconductivity observed. The results suggest that careful control of strain is essential when studying the electronic and magnetic properties of layered van der Waals solids.
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
(2021)
Article
Materials Science, Multidisciplinary
Christopher S. Perreault, Yogesh K. Vohra, Antonio M. dos Santos, Jamie J. Molaison
Summary: Neutron diffraction was used to study the magnetic ordering of Dysprosium (Dy) under high pressures and low temperatures. It was found that magnetic ordering occurred in the hexagonal close-packed, alpha-samarium, and double hexagonal close-packed phases of Dy, and previously undetected magnetic superlattice reflections were observed.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2022)
Article
Chemistry, Physical
Seth Iwan, Chia-Min Lin, Christopher Perreault, Kallol Chakrabarty, Cheng-Chien Chen, Yogesh Vohra, Rostislav Hrubiak, Guoyin Shen, Nenad Velisavljevic
Summary: High-entropy transition metal borides offer novel opportunities for designing materials with crystalline phase stability, high strength, and thermal oxidation resistance under extreme conditions. The comprehensive theoretical and experimental investigation of prototypical high-entropy boride materials showed excellent performance in terms of compressive strength and phase stability, making them suitable for structural applications in nuclear and aerospace fields.
Article
Materials Science, Multidisciplinary
Asaf Pesach, Long Nguyen, Federico A. Gorelli, Roberto Bini, Refael Hevroni, Mark Nikolaevsky, Antonio M. dos Santos, Christopher A. Tulk, Jamie J. Molaison, Reuben Shuker, Aviva Melchior, El'ad N. Caspi, Ran Salem, Guy Makov, Eran Sterer
Summary: This study investigates the metallization mechanism of SnO under high pressure using combined experimental and computational methods. It is found that pressure induces polaron delocalization, with electron-phonon coupling and lattice distortion being key factors. Additionally, the pressure-induced charge transition and dome-shaped superconductivity transition are observed.
RESULTS IN PHYSICS
(2022)
Article
Physics, Multidisciplinary
Yuting Tan, Tianyu Zhang, Tao Zou, A. M. Dos Santos, Jin Hu, Dao-Xin Yao, Z. Q. Mao, Xianglin Ke, Wei Ku
Summary: A counterintuitive enhancement of quantum fluctuation with larger spins is discovered in studying the emergent magnetism in high-temperature superconductor FeSe under pressure. The larger spins in FeSe suffer even stronger long-range quantum fluctuations that diminish their ordering at ambient pressure, but the ordering can develop above 1 GPa due to weakened fluctuation.
PHYSICAL REVIEW RESEARCH
(2022)
Article
Engineering, Multidisciplinary
Chia-Min Lin, Kaleb Burrage, Chris Perreault, Wei-Chih Chen, Cheng-Chien Chen, Yogesh K. Vohra
Summary: The compression behavior of osmium metal up to 280 GPa and its shear strength up to 170 GPa were investigated using x-ray diffraction techniques, showing good agreement between experiments and density functional theory calculations. The shear strength of osmium approaches a limiting value of 6 GPa above 50 GPa, lower than theoretical predictions, likely due to imperfections in polycrystalline samples. DFT calculations also revealed the ideal shear stress direction and maximal shear stress at critical strain.
ENGINEERING RESEARCH EXPRESS
(2021)
Meeting Abstract
Chemistry, Multidisciplinary
Madalynn Marshall, Weiwei Xie, Huibo Cao, Antonio M. dos Santos
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2021)