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Related papers: Pressure induced spin crossover in disordered {\al…

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The evolution of pressure induced superconductivity in single crystal as well as polycrystalline samples of BaFe2As2 has been investigated through temperature dependent electrical resistivity studies in 0-7 GPa pressure range. While the…

Superconductivity · Physics 2015-05-13 Awadhesh Mani , Nilotpal Ghosh , S. Paulraj , A. Bharathi , C. S. Sundar

In this work, we systematically study the electronic structure and stability of spin states of the [Fe-(tpy-ph)$_2$]$^{2+}$ molecule in both gas phase and on a Au(111) substrate using density functional theory +U (DFT+U) calculations. We…

Materials Science · Physics 2024-08-22 Naveen K. Dandu , Alex Taekyung Lee , Sergio Ulloa , Larry Curtiss , Saw Wai Hla , Anh T. Ngo

It is argued that the formation of the non-magnetic state of FeS in external pressures above 6.5 GPa is in agreement with the prediction of the quantum atomistic solid-state theory, an extension of the crystal-field theory with the…

Strongly Correlated Electrons · Physics 2007-05-23 Z. Ropka , R. J. Radwanski

High pressure electrical resistance and x-ray diffraction measurements have been performed on ruthenium-doped Ba(Fe0.9Ru0.1)2As2, up to pressures of 32 GPa and down to temperatures of 10 K, using designer diamond anvils under…

Superconductivity · Physics 2014-04-15 Walter Uhoya , Georgiy M. Tsoi , Yogesh K. Vohra , Athena S. Sefat , Samuel T. Weir

We present measurements of the resistivity $\rho_{x,x}$ of URu2Si2 high-quality single crystals in pulsed high magnetic fields up to 81~T at a temperature of 1.4~K and up to 60~T at temperatures down to 100~mK. For a field \textbf{H}…

SrMoO4 was studied under compression up to 25 GPa by angle-dispersive x-ray diffraction. A phase transition was observed from the scheelite-structured ambient phase to a monoclinic fergusonite phase at 12.2(9) GPa with cell parameters a =…

Materials Science · Physics 2008-02-04 Daniel Errandonea , Ravhi S. Kumar , Xinghua Ma , Chaoyang Tu

Through advanced experimental techniques on CrI$_{3}$ single crystals, we derive a previously not discussed pressure-temperature phase diagram. We find that $T_{c}$ increases to $\sim$ 66\,K with pressure up to $\sim$ 3\,GPa followed by a…

We report results of magnetization and $^{31}$P NMR measurements under high pressure up to 6.4~GPa on RbMoOPO$_4$Cl, which is a frustrated square-lattice antiferromagnet with competing nearest-neighbor and next-nearest-neighbor…

Strongly Correlated Electrons · Physics 2021-03-10 Hikaru Takeda , Touru Yamauchi , Masashi Takigawa , Hajime Ishikawa , Zenji Hiroi

The high pressure structural properties of bismuth oxide Bi2SiO5 have been investigated up to 28 GPa using in situ powder synchrotron X-ray diffraction and up to 50 GPa with DFT calculations. The monoclinic structure is found to persist up…

In this article, we investigated the effect of Cr substitution in place of Fe on the structural, magnetic and transport properties of $\mathrm{Co_2FeSi}$ alloy. A comprehensive structural analysis is done using X-ray diffraction (XRD) and…

Materials Science · Physics 2018-11-14 Deepika Rani , Jiban Kangsabanik , K. G. Suresh , N. Patra , D. Bhattacharyya , S. N. Jha , Aftab Alam

Spin semimetals are amongst the most recently discovered new class of spintronic materials, which exhibit a band gap in one spin channel and semimetallic feature in the other, thus facilitating tunable spin transport. Here, we report…

We employ a combination of the \emph{ab initio} band structure methods and dynamical mean-field theory to determine the electronic structure and phase stability of paramagnetic FeO at high pressure and temperature. Our results reveal a…

Strongly Correlated Electrons · Physics 2015-09-18 I. Leonov

Using density functional theory plus Hubbard $U$ calculations, we show that the ground state of (Mg,Fe)(Si,Fe)O$_3$ perovskite, a major mineral phase in the Earth's lower mantle, has high-spin ferric iron ($S=5/2$) at both the dodecahedral…

Geophysics · Physics 2015-05-27 Han Hsu , Peter Blaha , Matteo Cococcioni , Renata M. Wentzcovitch

High-pressure superconductivity in a rare-earth doped Ca0.86Pr0.14Fe2As2 single crystalline sample has been studied up to 12 GPa and temperatures down to 11 K using designer diamond anvil cell under a quasi-hydrostatic pressure medium. The…

First principles density functional calculations for Fe$_{2}$O$_{3}$ has been performed over a wide range of pressures. The ground state is corundum-type hematite and is an antiferromagnetic insulator. This is in good agreement with…

Materials Science · Physics 2009-03-13 Dipta Bhanu Ghosh , Stefano de Gironcoli

X-ray diffraction studies to ~90 GPa at room temperature show that Fe$_{2}$TiO$_{4}$ ferrous inverse spinel undergoes the following sequence of structural transitions : cubic (Fd3m) to tetragonal (I41/amd)to orthorhombic(Cmcm) to…

Strongly Correlated Electrons · Physics 2018-09-25 W. M. Xu , G. R. Hearne , S. Layek , D. Levy , J-P. Itié , M. P. Pasternak , G. Kh. Rozenberg , E. Greenberg

La doped SrFeO$_{3}$, La$_{1/3}$Sr$_{2/3}$FeO$_{3}$, exhibits a metal-to-insulator transition accompanied by both antiferromagnetic and charge ordering states along with the Fe-O bond disproportionation below a critical temperature near…

Strongly Correlated Electrons · Physics 2025-06-25 Nam Nguyen , Alex Taekyung Lee , Vijay Singh , Anh T. Ngo , Hyowon Park

In the series La_{2/3-x}Tb_{x}Ca_{1/3}MnO_{3}, it is known that the compositions are ferromagnetic for smaller values of x and show spin glass characteristics at larger values of x. Our studies on the magnetic properties of various…

Strongly Correlated Electrons · Physics 2009-11-13 C. Raj Sankar , S. Vijayanand , P. A. Joy

We study the structural evolution of Sr$_3$Ir$_2$O$_7$ as a function of pressure using x-ray diffraction. At a pressure of 54 GPa at room temperature, we observe a first-order structural phase transition, associated with a change from…

We determine experimentally the spin structure of half-metallic Co2FeAl0.4Si0.6 Heusler alloy elements using magnetic microscopy. Following magnetic saturation, the dominant magnetic states consist of quasi-uniform configurations, where a…