

We present an extensive experimental and theoretical study on the low-temperature magnetic properties of the monoclinic anhydrous alum compound BaMo(PO4)2. The magnetic susceptibility reveals strong antiferromagnetic interactions θCW=-167K and long-range magnetic order at TN=22K, in agreement with a recent report. Powder neutron diffraction furthermore shows that the order is collinear, with the moments near the ac plane. Neutron spectroscopy reveals a large excitation gap Δ=15meV in the low-temperature ordered phase, suggesting a much larger easy-axis spin anisotropy than anticipated. However, the large anisotropy justifies the relatively high ordered moment, Néel temperature, and collinear order observed experimentally and is furthermore reproduced in a first-principles calculations by using a new computational scheme. We therefore propose BaMo(PO4)2 to host S=1 antiferromagnetic chains with large easy-axis anisotropy, which has been theoretically predicted to realize novel excitation continua. © 2019 American Physical Society.
| Engineering controlled terms: | AnisotropyAntiferromagnetismBarium compoundsCalculationsMagnetic susceptibilityTemperature |
|---|---|
| Engineering uncontrolled terms | Antiferro-magnetic interactionsAntiferromagnetic chainComputational schemesFirst-principles calculationLong range magnetic orderNeutron spectroscopyOne-dimensional magnetsPowder neutron diffraction |
| Engineering main heading: | One dimensional |
| Funding sponsor | Funding number | Acronym |
|---|---|---|
| Alexander von Humboldt-Stiftung See opportunities | ||
| Science and Technology Facilities Council See opportunities by STFC | STFC | |
| University of Liverpool See opportunities by UoL | UoL | |
| Swedish Foundation for International Cooperation in Research and Higher Education See opportunities by STINT | CTH-012 | STINT |
| Russian Foundation for Basic Research | 18-32-00018 | РФФИ |
| Bundesministerium für Bildung und Forschung | BMBF |
The work of D.I.B. was funded by RFBR according to the research Project No. 18-32-00018. A.A.T. acknowledges financial support by the Federal Ministry for Education and Research through the Sofja Kovalevskaya Award of Alexander von Humboldt Foundation. D.I.B. and Y.O.K. acknowledge the support of the Swedish Foundation for International Cooperation in Research and Higher Education (STINT). The work at Chalmers University of Technology was supported by MAX4ESS under Project Number CTH-012. Financial support for the Ph.D. of A.H.A. by the University of Liverpool and the Science and Technology Facilities Council (STFC) is acknowledged. We gratefully acknowledge the STFC for access to neutron beam time at ISIS and thank Dr. G. Stenning for aiding with SQUID and specific-heat measurements at the Materials Characterization Laboratory, ISIS. We thank F. Lange (University of Greifswald), H. Fehske (University of Greifswald), L. Clark (University of Liverpool), and F. Kruger (ISIS and University College London) for useful discussions.
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