First-principles calculations of magnetic states in pyrochlores using a source-free exchange and correlation functional

Journal of Physics: Condensed Matter IOP Publishing 38:19 (2026) 195501

Authors:

Z Hawkhead, TL Breeze, N Gidopoulos, SJ Blundell, SJ Clark, T Lancaster

Abstract:

We present a first-principles investigation of the spin-ice state in Dy2Ti2O7 using a magnetic source-free exchange and correlation (xc) functional, implemented in the Castep electronic-structure code. By comparing results from the conventional local spin-density approximation, we show that a spin-ice state in Dy2Ti2O7 can be reliably obtained by removing the magnetic sources from the xc contributions to the potential, and we contrast this against the computed ground states of other frustrated pyrochlore magnets.

Gapped 1/9 Magnetization Plateau in the Anisotropic Kagome Antiferromagnet Y-kapellasite

(2026)

Authors:

Dipranjan Chatterjee, Paul A Goddard, Ewan RP Thomas, Katharina M Zoch, Hank CH Wu, Benjamin M Huddart, Cornelius Krellner, Edwin Kermarrec, Mladen Horvatić, Steffen Krämer, Pascal Puphal, John Singleton, Stephen J Blundell, Fabrice Bert

Anthony James Leggett (1938–2026)

Contemporary Physics Taylor & Francis 67:1-2 (2026) 1-2

Emergence of a Fluctuating Ground State in Y-Kapellasite under Pressure

Physical Review Letters American Physical Society (APS) 136:13 (2026) 136701

Authors:

Dipranjan Chatterjee, Petr Doležal, Federico Abbruciati, Tobias Biesner, Katharina M Zoch, Rustem Khasanov, Shams Sohel Islam, Guratinder Kaur, Seulki Roh, Francesco Capitani, Joao Elias FS Rodrigues, Gaston Garbarino, Cornelius Krellner, Philippe Mendels, Edwin Kermarrec, Martin Dressel, Björn Wehinger, Andrej Pustogow, Fabrice Bert, Pascal Puphal

Abstract:

Y-kapellasite [ Y 3 Cu 9 ( OH ) 19 Cl 8 ], which hosts an original anisotropic kagome sublattice, is a promising candidate for studying elusive and complex correlated physics. It exhibits a theoretically predicted in-plane ( 1 / 3 , 1 / 3 ) magnetic order [Hering , ], but its magnetic interaction values place it close to a phase boundary to a spin liquid state [Chatterjee , ]. Our μ SR measurements under hydrostatic pressure demonstrate the complete suppression of static magnetism in favor of a fully dynamical ground state at 2.3 GPa. Complementary high-pressure x-ray and optical phonon measurements reveal a gradual reduction of the kagome anisotropy, enhancing magnetic frustration without structural transitions. Our results establish Y-kapellasite as a rare clean kagome model in which long-range order is suppressed by pressure-tuned frustration, the first fingerprint for the realization of a quantum spin liquid without strong disorder.

Hydrogels find their inner magnetism

Nature Materials Springer Nature (2026) 1-2

Abstract:

Hydrogels containing C=O groups and calcium cations show an unexpected paramagnetic effect that may have biomedical applications.