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We report results of Raman scattering experiments on twin-free BaFe$_{2}$As$_{2}$ with the main focus placed on understanding the influence of electronic and spin degrees of freedom on the lattice dynamics. In particular, we scrutinize the…

Strongly Correlated Electrons · Physics 2018-08-15 A. Baum , Ying Li , M. Tomić , N. Lazarević , D. Jost , F. Löffler , B. Muschler , T. Böhm , J. -H. Chu , I. R. Fisher , R. Valentí , I. I. Mazin , R. Hackl

The crystal structure of CH3NH3PbBr3 perovskite has been investigated under high-pressure by synchrotron-based powder X-ray diffraction. We found that after the previously reported phase transitions in CH3NH3PbBr3 (Pm-3m->Im-3->Pmn21),…

Raman spectra have been measured on iron-based quaternary CeO$_{1-x}$F$_x$FeAs and LaO$_{1-x}$F$_x$FeAs with varying fluorine doping at room temperatures. A group analysis has been made to clarify the optical modes. Based on the first…

Superconductivity · Physics 2009-11-13 S. C. Zhao , D. Hou , Y. Wu , T. L. Xia , A. M. Zhang , G. F. Chen , J. L. Luo , N. L. Wang , J. H. Wei , Z. Y. Lu , Q. M. Zhang

In this paper, we present a thorough investigation of vibrational, structural, and electronic properties of perovskite-type rhombohedral Ba$_2$ZnTeO$_6$ (BZTO) under systematic application of pressure. To carry out the analysis, we have…

We use density functional theory (DFT) calculations to study the lattice vibrations and electronic properties of the correlated metal LaNiO$_3$. To characterize the rhombohedral to cubic structural phase transition of perovskite LaNiO$_3$,…

Materials Science · Physics 2011-11-09 Gaoyang Gou , Ilya Grinberg , Andrew M. Rappe , James M. Rondinelli

A first-principles study of the vibrational modes of PbTiO_3 in the ferroelectric tetragonal phase has been performed at all the main symmetry points of the Brillouin zone (BZ). The calculations use the local-density approximation and…

mtrl-th · Physics 2009-10-30 Alberto Garcia , David Vanderbilt

This study explores the pressure evolution of the double perovskite Ba$_2$NiTeO$_6$ by employing experimental and computational techniques. For the study of structural and vibrational properties, synchrotron X-ray diffraction (XRD) and…

Pressure-dependent Raman scattering studies in the range 0.0 -- 32 kbar were carried out in L-alanine in order to investigate its external mode phonon spectra in relation to the phase transitions in the crystal. A careful analysis of the…

The lattice dynamics of the $\rm YMnO_3$ magneto-electric compound has been investigated using density functional calculations, both in the ferroelectric and the paraelectric phases. The coherence between the computed and experimental data…

Materials Science · Physics 2012-03-09 Julien Varignon , Sébastien Petit , Marie-Bernadette Lepetit

We have performed an experimental study of the crystal structure, lattice-dynamics, and optical properties of PbCrO4 (the mineral crocoite) at ambient and high pressures. In particular, the crystal structure, Raman-active phonons, and…

Materials Science · Physics 2012-01-13 E. Bandiello , D. Errandonea , D. Martinez-Garcia , D. Santamaria-Perez , F. J. Manjon

We present a comprehensive temperature and polarization dependent inelastic light scattering (Raman) study on single crystals of two-dimensional CuCrP2S6, a layered van der Waals material exhibiting coupled magnetic and electric degrees of…

Detailed high pressure Resonance Raman ($RR$) Spectroscopy and X-ray diffraction ($XRD$) studies are carried out on 3-4 layered $MoSe_2$ obtained by liquid exfoliation. Analysis of ambient $XRD$ pattern and $RR$ spectra indicate the…

Materials Science · Physics 2019-08-29 Pinku Saha , Bishnupada Ghosh , Aritra Mazumder , Goutam Dev Mukherjee

We investigated the temperature dependence of the superlattice intensity and thermal diffuse scattering intensity of BaAl2O4, which has a network structure with corner-sharing AlO4 tetrahedra, via synchrotron X-ray diffraction experiments.…

Materials Science · Physics 2016-04-27 Y. Ishii , S. Mori , Y. Nakahira , C. Moriyoshi , H. Taniguchi , H. Moriwake , Y. Kuroiwa

Combined X-ray absorption spectroscopy (XAS) and X-ray diffraction (XRD) experiments have been carried out on GaAsO4 (berlinite structure) at high pressure and room temperature. XAS measurements indicate four-fold to six-fold coordination…

Materials Science · Physics 2009-10-30 James Badro , Philippe Gillet , Paul F. McMillan , Alain Polian , Jean-Paul Itié

Possible variations in the dynamical behaviour of LiYF$_{4}$ due to its structural changes following several pressure-induced phase transitions are examined by making use of the complementary techniques of quasi-harmonic lattice dynamics…

Materials Science · Physics 2007-05-23 A. Sen , S. L. Chaplot , R. Mittal

The pressure effects on the JT distortion of three representative compounds belonging to the LaMn_1-xGa_xO_3 (x= 0.2, 0.3, 0.4) family was widely investigated by means of X-ray diffraction and Raman spectroscopy. A compound with a fully JT…

Strongly Correlated Electrons · Physics 2008-07-18 M. Baldini , L. Malavasi , D. Di Castro , A. Nucara , W. Crichton , M. Mezouar , J. Blasco , P. Postorino

A new type of heavy transition metal carbide (TMC), Ru2C with a space group of p3 - m1(164) was synthesized experimentally at high pressurehigh temperature [J Phys. Condens. Matter. 2012 Sep 12; 24(36): 362202.] and it was consequently…

Materials Science · Physics 2015-06-17 Weiwei Sun , Sudip Chakraborty , Rajeev Ahuja

We study the global phase diagram of magnetic orders and lattice structure in the Fe-pnictide materials at zero temperature within one unified theory, tuned by both doping and pressure. On the low doping and high pressure side of the phase…

Strongly Correlated Electrons · Physics 2015-05-13 Yang Qi , Cenke Xu

Ultrasonic velocity measurements on the magnetoelectric multiferroic compound CuFeO2 reveal that the antiferromagnetic transition observed at TN1 = 14 K might be induced by an R-3m -> C2/m pseudoproper ferroelastic transition (G. Quirion,…

Materials Science · Physics 2015-05-30 O. Aktas , K. D. Truong , T. Otani , G. Balakrishnan , M. J. Clouter , T. Kimura , G. Quirion

Two-dimensional (2D) van der Waals (vdW) magnetic materials have emerged as key materials for next-generation magneto-electric and spintronic devices, where understanding the relationship between layer number, lattice dynamics, and magnetic…

Materials Science · Physics 2025-11-18 Nilesh Choudhury , Sandeep , Neesha Yadav , Mayank Shukla , Pintu Das
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