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Ferromagnetic solids acquire nontrivial magnetic and caloric properties when the temperature of the structural phase transition approaches the Curie point. Deciphering magneto-structural transitions, i.e. determining their characteristic…

Using fully self-consistent thermal broken-symmetry GW we construct effective magnetic Heisenberg Hamiltonians for a series of transition metal oxides (NiO, CoO, FeO, MnO), capturing a rigorous but condensed description of the magnetic…

Materials Science · Physics 2023-03-22 Pavel Pokhilko , Dominika Zgid

Among the 3d transition metal ions doped polar Ni3TeO6, Mn-doped Ni3TeO6 has stimulated great interest due to its high magnetic ordering temperature and complex magnetic phases, but the mechanism of magnetoelectric (ME) coupling is far from…

The Heisenberg ferromagnet (uniaxially anisotropic along z-direction), in the presence of time dependent (but uniform over space) magnetic field, is studied by Monte Carlo simulation. The time dependent magnetic field was taken as…

Statistical Mechanics · Physics 2011-05-02 Muktish Acharyya

We report that in YBa2Cu3Oy and La2-xSrxCuO4 there is a spatially inhomogeneous response to magnetic field for temperatures T extending well above the bulk superconducting transition temperature Tc. An inhomogeneous magnetic response is…

We report on a hierarchy of temperatures Tc < Tgap < Tmet in superconducting Rb1-xFe2-ySe2 observed by THz spectroscopy. Above Tmet = 90 K the material reveals semiconducting characteristics. Below Tmet a coherent metallic THz response…

Superconductivity · Physics 2014-03-05 Zhe Wang , M. Schmidt , J. Fischer , V. Tsurkan , M. Greger , D. Vollhardt , A. Loidl , J. Deisenhofer

We cast the relation between the chemical composition of a solid-state material and its superconducting critical temperature (Tc) as a statistical learning problem with reduced complexity. Training of query-aware similarity-based ridge…

Superconductivity · Physics 2024-11-11 Siwoo Lee , Jason Hattrick-Simpers , Young-June Kim , O. Anatole von Lilienfeld

Based on ab-initio calculated parameters, we apply a theoretical model on the iron-based BaFe2As2 superconductor that takes into account dramatic enhancements of the electron-phonon coupling of soft transverse phonons in the FeAs layers and…

Superconductivity · Physics 2019-06-14 Chi Ho Wong , Rolf Lortz

The non-stoichiometric Fe$_2$P-type (FeMnP$_{0.5}$Si$_{0.5}$)$_{1-x}$(FeV)$_{x}$ alloys ( $x=0, 0.01$, $0.02$, and $0.03$) have been investigated as potential candidates for magnetic refrigeration near room temperature. The magnetic…

The Y2SiO5 (YSO) crystal is a dielectric material with biaxial anisotropy with known values of refractive index at optical frequencies. It is a well-known rare-earth (RE) host material for optical research and more recently has shown…

Materials Science · Physics 2015-06-11 N. C. Carvalho , J-M. Le Floch , J. Krupka , M. E. Tobar

We report on a 59Co NMR investigation of the trigonal cobaltate Ca3Co2O6 carried out on a single crystal, providing precise determinations of the electric field gradient and chemical shift tensors, and of the internal magnetic fields at the…

Strongly Correlated Electrons · Physics 2015-05-20 G. Allodi , R. De Renzi , S. Agrestini , C. Mazzoli , M. R. Lees

Spectra of transmission and reflection coefficients of single crystalline Y-type hexaferrite Ba_(2)Mg_(2)Fe_(12)O_(22) are measured at Terahertz and infrared frequencies, 3 - 4500 c--1, and at temperatures 10 to 300 K, for polarization E…

Materials Science · Physics 2011-02-04 G. A. Komandin , A. S. Prokhorov , V. I. Torgashev , A. A. Bush , E. S. Zhukova , B. P. Gorshunov

Markov Chain Monte Carlo (MCMC) underlies both statistical physics and combinatorial optimization, but mixes slowly near critical points and in rough landscapes. Parallel Tempering (PT) improves mixing by swapping replicas across…

Machine Learning · Computer Science 2025-09-30 Saleh Bunaiyan , Corentin Delacour , Shuvro Chowdhury , Kyle Lee , Kerem Y. Camsari

We study the temperature dependence of the resistivity as a function of magnetic field in superconducting transition (Tconset - TcR=0) region for different Bi2Sr2CaCu2O8+{\delta} superconducting samples being synthesized using sol-gel…

Superconductivity · Physics 2015-06-04 Devina Sharma , Ranjan Kumar , V. P. S. Awana

Abundant phenomena in CoCr2-xMnxO4 (x = 0 ~ 2) samples such as magnetic compensation, magnetostriction and exchange bias effect have been observed and investigated in this work. A structure transition from cubic to tetragonal symmetry has…

Materials Science · Physics 2013-10-21 H. G. Zhang , W. H. Wang , E. K. Liu , X. D. Tang , G. J. Li , J. L. Chen , H. W. Zhang , G. H. Wu

Frustrated magnets are one class of fascinating materials that host many intriguing phases such as spin ice, spin liquid and complex long-range magnetic orderings at low temperatures. In this work we use first-principles calculations to…

Materials Science · Physics 2019-08-07 Yue-Wen Fang , Ruihan Yang , Hanghui Chen

We unify the method of exchange perturbation theory for multicenter systems. For the case of exchange degeneracy in the total spin of the system we give a secular equation that is more compact and convenient for calculations than those…

Strongly Correlated Electrons · Physics 2015-03-25 Elena V. Orlenko , Tatiana Latychevskaia

We have studied the thermodynamic properties of a multiferroic that couples ferromagnetic and ferroelectric order. Some of the results are independent of the form of the free energy. We calculate the temperature dependence of the electric,…

Materials Science · Physics 2011-01-31 G. R. Boyd , P. Kumar , S. R. Phillpot

We searched for stable crystal structures of YFe$_{12}$ using a crystal structure prediction technique based on a genetic algorithm and first-principles calculations. We obtained two monoclinic $C2/m$ structures as metastable phases that…

Materials Science · Physics 2020-10-21 Takahiro Ishikawa , Taro Fukazawa , Takashi Miyake

We have used the Monte Carlo (MC) simulation method with Metropolis algorithm to study the finite temperature phase transition properties of a binary alloy spherical nanoparticle with radius $r$ of the type $A_{p}B_{1-p}$. The system…

Statistical Mechanics · Physics 2017-03-08 Z. D. Vatansever , E. Vatansever
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