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A complex magnetic order of the multiferroic compound Co3TeO6 has been revealed by neutron powder diffraction studies on ceramics and crushed single crystals. The compound adopts a monoclinic structure (s.g. C2/c) in the studied temperature…

Structural phase transitions drive several unconventional phenomena including some illustrious ferroic attributes which are relevant for technological advancements. With this note, we have investigated the structural transition of…

The structural phase transformation in the La2/3Ba1/3MnO3 perovskite manganite was studied by ultrasound, neutron diffraction and electron microscopy techniques. Minima of the velocity and maxima of the decrement of the ultrasound point out…

We investigate phonon transport in perovskite strontium titanate (SrTiO3) which is stable above its phase transition temperature (~105 K) by using first-principles molecular dynamics and anharmonic lattice dynamics. Unlike conventional…

计算物理 · 物理学 2015-06-09 Lei Feng , Takuma Shiga , Junichiro Shiomi

Commencing from the centrosymmetric MnRMnSbO$_6$ compound, we explore the realm of magnetic polar double-double perovskite oxides characterized by significant ferroelectric polarization. Employing symmetry operations, first-principles…

材料科学 · 物理学 2024-03-11 Monirul Shaikh , Duo Wang , Saurabh Ghosh

We have measured near normal incidence far infrared (FIR) reflectivity spectra of a single crystal of TbMnO3 from 10K to 300K in the spectral range of 50 cm$^{-1}$ to 700 cm$^{-1}$. Fifteen transverse optic (TO) and longitudinal optic (LO)…

材料科学 · 物理学 2015-05-13 Pradeep Kumar , Surajit Saha , C. R. Serrao , A. K. Sood , C. N. R. Rao

The magnetic susceptibility between 1.5 and 800 K, the infrared reflectivity at room temperature and the temperature dependence of the dielectric constant at mm-wavelengths are reported for single crystalline BiFeO3. A well developed…

强关联电子 · 物理学 2010-07-22 Jun Lu , M Schmidt , P Lunkenheimer , A Pimenov , A A Mukhin , V D Travkin , A Loidl

We investigate the temperature evolution of the structural parameters of potential ferrotoroidic LiFeSi2O6 compound across structural and magnetic phase transitions. The structural transition (TS)is around 220K and the paramagnetic to…

强关联电子 · 物理学 2019-09-04 R. K. Maurya , Priyamedha Sharma , R. Rawat , R. S. Singh , R. Bindu

We report on TmMnO3 far infrared emissivity and reflectivity spectra from 1910 K to 4 K. At the highest temperature the number of infrared bands is lower than that predicted for centrosymmetric P63/mmc (D6h4) (Z=2) space group due high…

We report a detailed high-resolution powder neutron diffraction investigation of the structural behaviour of the multiferroic hexagonal polymorph of YMnO3 between room temperature and 1403 K. The study was aimed at resolving previous…

材料科学 · 物理学 2015-05-19 Alexandra S. Gibbs , Kevin S. Knight , Philip Lightfoot

Neutron powder diffraction measurements, combined with magnetization and resistivity data, have been carried out in the doped perovskite La$_{1-x}$Ca$_x$MnO$_3$ ($x=0.47$, 0.50, and 0.53) to elucidate the structural, magnetic, and…

强关联电子 · 物理学 2009-10-31 Q. Huang , J. W. Lynn , R. W. Erwin , A. Santoro , D. C. Dender , V. N. Smolyaninova , K. Ghosh , R. L. Greene

Infrared reflection and transmission as a function of temperature have been measured on single crystals of Cu$_{3}$Bi(SeO$_{3}$)$_{2}$O$_{2}$Cl. The complex dielectric function and optical properties along all three principal axes of the…

材料科学 · 物理学 2015-06-05 K. H. Miller , P. W. Stephens , C. Martin , E. Constable , R. A. Lewis , H. Berger , G. L. Carr , D. B. Tanner

The reflectivity of a large LuFe(2)O(4) single crystal has been measured with the radiation field either perpendicular or parallel to the c axis of its rhombohedral structure, from 10 to 500K, and from 7 to 16000 cm-1. The transition…

强关联电子 · 物理学 2015-05-18 F. M. Vitucci , A. Nucara , D. Nicoletti , Y. Sun , C. H. Li , J. C. Soret , U. Schade , P. Calvani

In search of the ferromagnetic insulators for spintronic device applications, we have studied the electronic, optical, and magnetic properties ofLa2CrNiO6(LCNO) using the first principle density functional theory (DFT)and monte carlo…

材料科学 · 物理学 2021-09-28 Tushar Kanti Bhowmik , T. P Sinha

Ba2CaMoO6 was synthesized by solid state method. The crystal structure adopts cubic Fm-3m space group at room temperature with lattice parameters of 8.378231(5) {angstroms}. Upon cooling, Ba2CaMoO6 was determined to have a structural phase…

材料科学 · 物理学 2020-11-03 Loi T. Nguyen , Robert J. Cava , Allyson M. Fry-Petit

Single crystals of XPt$_{5}$P (X = Al, Ga, and In) were grown from a Pt-P solution at high temperatures, and ambient-pressure measurements of temperature-dependent magnetization, resistivity, and X-ray diffraction were made. Also, the…

Topological insulators are a novel class of quantum materials characterized by protected gapless surface or edge states but insulating bulk states which is due to presence of spin-orbit interactions and time-reversal symmetry. Such an…

强关联电子 · 物理学 2024-07-11 Vivek Kumar , Pradeep Kumar

We report a molecular dynamics study of ab initio quality of the ferroelectric phase transition in crystalline PbTiO3. We model anharmonicity accurately in terms of potential energy and polarization surfaces trained on density functional…

材料科学 · 物理学 2025-04-02 Pinchen Xie , Yixiao Chen , Weinan E , Roberto Car

We present electronic structure calculations, electrical resistivity data and the first specific heat measurements in the normal and superconducting states of quasi-one-dimensional M2Mo6Se6 (M = Tl, In, Rb). Rb2Mo6Se6 undergoes a…

High-frequency dielectric studies of Bi_0.85Nd_0.15FeO_3 ceramics performed betweeen 100 and 900 K reveal hardening of most polar phonons on cooling below antiferroelectric phase transition, which occurs near 600 K. Moreover, a strong THz…

材料科学 · 物理学 2011-10-18 V. Goian , S. Kamba , S. Greicius , D. Nuzhnyy , S. Karimi , I. M. Reaney