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Theoretical DFT calculations using GGA+U and HSE06 frameworks enabled vibrational mode assignment and partial (atomic) phonon DOS determination in KAgF3 perovskite, a low-dimensional magnetic fluoroargentate(II). Twelve bands in the spectra…

Materials Science · Physics 2021-01-20 Kacper Koteras , Jakub Gawraczynski , Mariana Derzsi , Zoran Mazej , Wojciech Grochala

Temperature dependent electrical resistivity, crystal structure and heat capacity measurements reveal a resistivity drop and metal to semiconductor transition corresponding to first order structural phase transition near 400 K in Ca3Co4O9.…

Materials Science · Physics 2012-04-17 Tao Wu , Trevor A. Tyson , Haiyan Chen , Jianming Bai , Hsin Wang , Cherno Jaye

The pressure dependence of a large number of phonon modes in CaFe2As2 with energies covering the full range of the phonon spectrum has been studied using inelastic x-ray and neutron scattering. The observed phonon frequency changes are in…

We report a detailed magnetic, dielectric and Raman studies on partially disordered and biphasic double perovskite La2NiMnO6. DC and AC magnetic susceptibility measurements show two magnetic anomalies at TC1 ~ 270 K and TC2 ~ 240 K, which…

Materials Science · Physics 2015-06-18 Pradeep Kumar , S. Ghara , B. Rajeswaran , D. V. S. Muthu , A. Sundaresan , A. K. Sood

Dielectric spectroscopy of $SrTiO_3$ single crystal over a broad range of microwave frequency using quasi $TE_{m,1,1}$ and quasi $TM_{m,1,1}$ modes reveals crystal asymmetry from typical measurement of $Q$-factor, transmission or frequency…

Materials Science · Physics 2025-05-22 M. A. Hosain , J-M. Le Floch , J. F. Bourhill , J. Krupka , M. E. Tobar

The dielectric properties of tantalum doped BaTi0.85Zr0.15O3 were investigated. The conventional solid state reaction method was used to make the ceramic samples. The composition was close to the pinch point of the three structure phase…

Materials Science · Physics 2007-05-23 Jun Xu , Mitsuru Itoh

Polarized Raman scattering spectra of the K_xCo_{2-y}Se_2 single crystals reveal the presence of two phonon modes, assigned as of the A_{1g} and B_{1g} symmetry. Absence of additional modes excludes the possibility of vacancy ordering,…

The electronic and vibrational properties of 2D materials are dramatically altered by the formation of a moir\'e superlattice. The lowest-energy phonon modes of the superlattice are two acoustic branches (called phasons) that describe the…

Neutron scattering and ultrasonic methods have been used to study the lattice dynamics of two single crystals of Ni-Mn-In Heusler alloys close to Ni$_{50}$Mn$_{34}$In$_{16}$ magnetic superelastic composition. The paper reports the…

Structural, magnetic, electrical transport, and heat capacity data are reported for single crystals of TlFe1.6Se2. This compound crystallizes in a tetragonal structure similar to the ThCr2Si2 structure, but with vacancies in the Fe layer.…

We study the temperature and pressure dependence of the structural and electronic properties of the iron pnictide superconductor BaFe2As2. We use density functional theory based Born-Oppenheimer molecular dynamics simulations to investigate…

Strongly Correlated Electrons · Physics 2013-08-06 Steffen Backes , Harald O. Jeschke

We review the theory of second--order (ferro--)elastic phase transitions, where the order parameter consists of a certain linear combination of strain tensor components, and the accompanying soft mode is an acoustic phonon. In…

Condensed Matter · Physics 2009-10-28 F. Schwabl , U. C. Täuber

Phonon measurements in the A15-type superconductors were complicated in the past because of the unavailability of large single crystals for inelastic neutron scattering, e.g., in the case of Nb$_3$Sn, or unfavorable neutron scattering…

Superconductivity · Physics 2019-04-19 A. Sauer , D. A. Zocco , A. H. Said , R. Heid , A. Böhmer , F. Weber

One account of two-dimensional (2D) structural transformations in 2D ferroelectrics predicts an evolution from a structure with Pnm2$_1$ symmetry into a structure with square P4/nmm symmetry and is consistent with experimental evidence,…

Soft Condensed Matter · Physics 2020-05-13 John W. Villanova , Pradeep Kumar , Salvador Barraza-Lopez

Under pressure cesium undergoes a transition from a high-pressure fcc phase (Cs-II) to a collapsed fcc phase (Cs-III) near 4.2GPa. At 4.4GPa there follows a transition to the tetragonal Cs-IV phase. In order to investigate the lattice…

Materials Science · Physics 2009-10-31 Y. Kong , O. Jepsen

The low-temperature crystal structure of Fe1.13Te, which exhibits an anomalous two-step magnetic transition, was clarified by the systematic x-ray diffraction measurements. It was found that two-step structural phase transition,…

Neutron diffraction measurements of a high quality single crystal of CaFe2As2 are reported. A sharp transition was observed between the high temperature tetragonal and low temperature orthorhombic structures at TS = 172.5K (on cooling) and…

Detailed Raman spectroscopy studies on polycrystalline Sr1-xPrxTiO3 (x=0.01, 0.025, 0.05, 0.075, 0.09, 0.13, 0.15, 0.17) samples are reported elucidating the microscopic mechanism of relaxor ferroelectrics. The polar mode was observed upto…

Materials Science · Physics 2019-06-26 Vivek Dwij , Binoy Krishna De , Shekhar Tyagi , Gaurav Sharma , V. G. Sathe

We present evidence for a concomitant structural and ferroelectric transformation around $T_S\sim 360$ K in multiferroic BiFeO$_3$/LaAlO$_3$ thin films close to the tetragonal phase. Phonon excitations are investigated by using Raman…

Strongly Correlated Electrons · Physics 2015-05-30 K. -Y. Choi , S. H. Do , P. Lemmens , D. Wulferding , C. S. Woo , J. H. Lee , K. Chu , C. -H. Yang

The strongly correlated material FeSi exhibits several unusual thermal, magnetic, and structural properties under varying pressure-temperature (P-T) conditions. It is a potential thermoelectric alloy and a materials of several geological…