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Using first-principles evolutionary simulations, we have systematically investigated phase stability in the Hf-O system at pressure up to 120 GPa. New compounds Hf5O2, Hf3O2, HfO and HfO3 are discovered to be thermodynamically stable at…

Materials Science · Physics 2015-11-18 Jin Zhang , Artem R. Oganov , Xinfeng Li , Kan-Hao Xue , Zhenhai Wang , Huafeng Dong

The M-1222 compounds are synthesized in near single phase form. These compounds crystallise in I4/mmm Tetragonal structure. None of the studied compound is superconducting but they asre weakly magnetic. This is first report on synthesis of…

Superconductivity · Physics 2007-05-23 V. P. S. Awana , S. Balamurugan , H. Kishan , E. Takayama-Muromachi

The crystal structures and magnetic properties of three previously unreported A2B2F7 pyrochlore materials, NaSrMn2F7, NaCaFe2F7, and NaSrFe2F7 are presented. In these compounds, either S=2 Fe2+ or S=5/2 Mn2+ is on the B site, while…

Strongly Correlated Electrons · Physics 2016-12-21 M. B. Sanders , J. W. Krizan , K. W. Plumb , T. M. McQueen , R. J. Cava

The static magnetic and dynamic properties of the compound (NH3)2(CH2)3CoCl4 are investigated in the temperature interval 0.5-50 K. It is shown that at TN =2.05 K this compound undergoes a transition to a magnetically ordered…

Materials Science · Physics 2009-11-11 A. S. Cherny , K. G. Dergachev , M. I. Kobets , E. N. Khatsko

We present a correlated {\it ab initio} description of the paramagnetic phase of Tl$_2$Mn$_2$O$_7$, employing a combined local density approximation (LDA) with multiorbital dynamical mean field theory (DMFT) treatment. We show that the…

Strongly Correlated Electrons · Physics 2009-11-11 L. Craco , C. I. Ventura , A. N. Yaresko , E. Müller-Hartmann

The magnetization (both dc and ac) of pyrochlore Eu2Ti2O7 have been investigated. Ac susceptibility measurements reveal a new unusual spin freezing below 35K for pure Eu2Ti2O7. Frequency dependence of these ac peak positions indicate slow…

Materials Science · Physics 2018-05-23 Arkadeb Pal , Abhishek Singh , Prajyoti Singh , A. K. Ghosh , Sandip Chatterjee

Synthesizing metastable phase often opens new functions in materials but is a challenging topic. Thin film techniques have advantages to form materials which do not exist in nature since nonequilibrium processes are frequently utilized. In…

Search of new frustrated magnetic systems is of a significant importance for physics studying the condensed matter. The platform for geometric frustration of magnetic systems can be provided by copper oxocentric tetrahedra (OCu4) forming…

Materials Science · Physics 2018-07-02 L. M. Volkova , D. V. Marinin

The pyrochlore insulator Yb2Ti2O7 has attracted the attention of experimentalists and theoreticians alike for about 15 years. Conflicting neutron diffraction data on the possible existence of magnetic Bragg reflections at low temperature…

Strongly Correlated Electrons · Physics 2016-08-26 A. Yaouanc , P. Dalmas de Reotier , L. Keller , B. Roessli , A. Forget

Recently, it has been shown that under pressure, unexpected and counterintuitive chemical compounds become stable. Laser shock experiments (A. Rode, unpublished) on alumina (Al2O3) have shown non-equilibrium decomposition of alumina with…

Computational Physics · Physics 2015-02-26 Yue Liu , Artem R. Oganov , Shengnan Wang , Qiang Zhu , Xiao Dong , Georg Kresse

We present temperature-, magnetic-field-, and pressure-dependent Raman scattering studies of single crystal Mn3O4, combined with temperature- and field-dependent x-ray diffraction studies, revealing the novel magnetostructural phases in…

Strongly Correlated Electrons · Physics 2015-05-28 M. Kim , X. M. Chen , X. Wang , C. S. Nelson , R. Budakian , P. Abbamonte , S. L. Cooper

We study the finite-temperature transition in a model XY antiferromagnet on a pyrochlore lattice, which describes the pyrochlore material Er2Ti2O7. The ordered magnetic structure selected by thermal fluctuations is six-fold degenerate.…

Strongly Correlated Electrons · Physics 2014-04-15 M. E. Zhitomirsky , P. C. W. Holdsworth , R. Moessner

Polycrystalline samples of Sr2Mn2CuAs2O2, Sr2Mn3As2O2, and Sr2Zn2MnAs2O2 were synthesized. Their temperature- and applied magnetic field-dependent structural, transport, thermal, and magnetic properties were characterized by means of x-ray…

Superconductivity · Physics 2010-11-12 R. Nath , V. O. Garlea , A. I. Goldman , D. C. Johnston

Experimental evidence from measurements of the a.c. and d.c. susceptibility, and heat capacity data show that the pyrochlore structure oxide, Gd_2Ti_2O_7, exhibits short range order that starts developing at 30K, as well as long range…

Disordered Systems and Neural Networks · Physics 2009-10-31 N. P. Raju , M. Dion , M. J. P. Gingras , T. E. Mason , J. E. Greedan

We report neutron scattering studies of the spin correlations of the geometrically frustrated pyrochlore Tb2Mo2O7 using single crystal samples. This material undergoes a spin-freezing transition below Tg~24 K, similar to Y2Mo2O7, and has…

Strongly Correlated Electrons · Physics 2009-11-13 D. K. Singh , J. S. Helton , S. Chu , T. H. Han , C. J. Bonnoit , S. Chang , H. J. Kang , J. W. Lynn , Y. S. Lee

In this paper, we revisit the high-pressure behavior of BaZrO3 by a combination of first-principle calculations, Raman spectroscopy, and x-ray diffraction under high pressure. We confirm experimentally the cubic-to-tetragonal transition at…

Polycrystalline samples of Fe2BiMO7 (M = Sb, Ta) compounds with pyrochlore-type structure were synthesized for the first time by the molten salts method. The compounds were obtained in one hour at 950 C. The structures were determined by…

Rare-earth pyrochlores are known to exhibit exotic magnetic phenomena. We report a study of crystal growth and characterizations of a new rare-earth compound Er$_2$AlSbO$_7$, in which Al$^{3+}$ and Sb$^{5+}$ ions share the same positions…

We present an experimental study of the pyrochlore coumpound Nd2Zr2O7 by means of neutron scattering and magnetization measurements down to 90 mK. The Nd$^{3+}$ magnetic moments exhibit a strong local $\langle$111$\rangle$ Ising anisotropy…

Strongly Correlated Electrons · Physics 2016-01-05 E. Lhotel , S. Petit , S. Guitteny , O. Florea , M. Ciomaga Hatnean , C. Colin , E. Ressouche , M. R. Lees , G. Balakrishnan

By means of hybrid density functional theory we investigate the evolution of the structural, electronic and magnetic properties of the colossal magnetoresistance (CMR) parent compound LaMnO$_3$ under pressure. We predict a transition from a…

Strongly Correlated Electrons · Physics 2012-05-08 J. He , M. -X. Chen , X. -Q Chen , C. Franchini