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Understanding the complexities of electronic and magnetic ground states in solids is one of the main goals of solid-state physics. Materials with the canonical ThCr$_2$Si$_2$-type structure have proved particularly fruitful in this regards,…

Strongly Correlated Electrons · Physics 2015-06-12 James R. Neilson , Anna Llobet , Jiajia Wen , Matthew R. Suchomel , Tyrel M. McQueen

We report results of a comprehensive study of the phase transition at T_N (~643 K) as a function of particle size in multiferroic BiFeO3 system. We employed electrical, thermal, and temperature dependent X-ray diffraction (XRD) studies in…

We present neutron total scattering and density functional theory studies on quasi-one-dimensional superconducting K$_2$Cr$_3$As$_3$ revealing a frustrated structural instability. Our first principles calculations find a significant phonon…

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

To study the relationship between the properties of low-dimensional spin systems with weakly coupled Cu-triangles and their crystal structure, single crystals of $Cs_3Cu_3Cl_8OH$ (1) and the new $Cs_3Cu_3Cl_{7.6}Br_{0.4}OH$ (2) were grown.…

Both amorphous and crystalline materials frequently exhibit low temperature specific heats in excess of what is predicted using the Debye model. The signature of this excess specific heat is a peak observed in $C/T^3$ \textit{versus} $T$.…

We have investigated structural and magnetic phase transitions under high pressures in a quaternary rare earth transition metal arsenide oxide NdCoAsO compound that is isostructural to high temperature superconductor NdFeAsO. Four-probe…

We present a detailed study of the structural behavior and polarization reversal mechanism in phase III of KNO$_3$, an unusual ferroelectric material in which the nitrate groups rotate during polarization reversal. This material was one of…

Materials Science · Physics 2009-12-22 Oswaldo Dieguez , David Vanderbilt

Through CaH2 chemical reduction of a parent R3+Ni3+O3 perovskite form, superconductivity was recently achieved in Sr-doped NdNiO2 on SrTiO3 substrate. Using density functional theory (DFT) calculations, we find that stoichiometric NdNiO2 is…

Materials Science · Physics 2022-02-02 Oleksandr I. Malyi , Julien Varignon , Alex Zunger

Three solid solutions of [CH$_3$NH$_3$]Co$_x$Ni$_{1-x}$(HCOO)$_3$, with $x$ = 0.25 (1), 0.50 (2) and 0.75 (3), were synthesized and their nuclear structures and magnetic properties were characterized using single crystal neutron diffraction…

Strongly Correlated Electrons · Physics 2024-08-06 Madeleine Geers , Oscar Fabelo , Matthew J. Cliffe , Laura Cañadillas-Delgado

In this work, the structural and transport properties of (Nd0.7-xLax)Sr0.3MnO3 manganites with x = 0, 0.1 and 0.2 prepared by solid state reaction route are studied. These compounds are found to be crystallized in orthorhombic structural…

Materials Science · Physics 2012-02-08 Sudarshan Vadnala , Saket Asthana , Prem Pal , S. Srinath

We report on the crystallographic information such as lattice parameters, atomic positions, bond lengths and angles, and local crystalline distortion size and mode of single-crystal YCrO$_3$ compound by a high-resolution synchrotron X-ray…

Materials Science · Physics 2024-03-08 Qian Zhao , Si Wu , Yinghao Zhu , Junchao Xia , Hai-Feng Li

Single crystals of EuPtSi$_3$, which crystallize in the BaNiSn$_3$-type crystal structure, have been grown by high temperature solution growth method using molten Sn as the solvent. EuPtSi$_3$ which lacks the inversion symmetry and has only…

Strongly Correlated Electrons · Physics 2011-12-22 Neeraj Kumar , S. K. Dhar , P. Manfrinetti , P. Bonville , A. Thamizhavel

Inelastic neutron scattering experiments were performed to investigate the crystalline electric field (CEF) excitations of Nd3+ (J = 9/2) in the iron pnictide NdFeAsO. The crystal field level structures for both the high-temperature…

Superconductivity · Physics 2014-01-08 Y. Xiao , M. Zbiri , R. A. Downie , J. -W. G. Bos , Th. Brueckel , T. Chatterji

We use variable-temperature (150--300\,K) single-crystal X-ray diffraction to re-examine the interplay between structure and dynamics in the ambient phase of the isotropic negative thermal expansion (NTE) material Cd(CN)$_2$. We find strong…

Materials Science · Physics 2015-06-05 Vanessa E. Fairbank , Amber L. Thompson , Richard I. Cooper , Andrew L. Goodwin

SrHo2O4 is a geometrically frustrated compound because the Ho^3+ ions are arranged in a network of triangles and hexagons and coupled with antiferromagnetic exchange interactions. Powder neutron diffraction measurements show that long-range…

Strongly Correlated Electrons · Physics 2015-05-30 Olga Young , Laurent C. Chapon , Oleg A. Petrenko

The crystal structure and magnetic properties of the RbMnPO4 zeolite-ABW type material have been studied by temperature-dependent neutron powder diffraction, low temperature magnetometry and heat capacity measurements. RbMnPO4 represents a…

Materials Science · Physics 2014-10-02 G. Nénert , J. L. Bettis, , R. K. Kremer , H. Ben Yahia , C. Ritter , E. Gaudin , O. Isnard , M. -H. Whangbo

The crystal structure, anisotropic electrical resistivity and magnetic susceptibility, as well as specific heat results from single crystals of BaFe2As2, BaNi2As2, and BaFeNiAs2 are surveyed. BaFe2As2 properties demonstrate the equivalence…

The structural, thermoelectric, and optical properties of $[NH_3-(CH_2)_4-NH_3]CdCl_4$ were studied using Density Functional Theory (DFT) within the ABINIT code. The GGA-PBE functional, plane wave pseudopotentials, a kinetic energy cutoff…

We present high-resolution capacitance dilatometry studies from 5 - 500 K of untwinned YBa2Cu3Ox (Y123) single crystals for x ~ 6.95 and x = 7.0. Large contributions to the thermal expansivities due to O-ordering are found for x ~ 6.95,…

Superconductivity · Physics 2009-10-31 Peter Nagel , Volker Pasler , Christoph Meingast , Alexandre I. Rykov , Setsuko Tajima