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CERN Document Server 2,014 elementer funnet  1 - 10nesteslutt  gå til element: Søket tok 0.41 sekunder. 
1.
(100)
Ca$_2$MnO$_4$ structural path: Following the negative thermal expansion at the local scale / Rocha-Rodrigues, Pedro (Porto U.) ; Santos, Samuel S M (Porto U.) ; Oliveira, Gonçalo N P (Porto U.) ; Leal, Tiago (Porto U.) ; Miranda, Ivan P (Sao Paulo U.) ; dos Santos, António M (ORNL, Oak Ridge (main)) ; Correia, João G (Lisbon, IST) ; Assali, Lucy V C (Sao Paulo U.) ; Petrilli, Helena M (Sao Paulo U.) ; Araújo, João P (Porto U.) et al.
The oxygen octahedral rotations in Ca$_2$MnO$_4$, the first member of the $\textrm{Ca O ( CaMnO}_3)_n$ Ruddlesden-Popper family, is probed through a set of complementary techniques, including temperature-dependent neutron and x-ray diffraction, combined with local probe studies and ab initio calculations. Here we demonstrate the enhancement of the uniaxial negative thermal expansion coefficient from $-1.26 \pm 0.25$ to $-21 \pm 1.8$ ppm/K at the second order $I4_1/acd$ to $I4/mmm$ structural phase transition, providing direct evidence for the corkscrew atomic mechanism. [...]
2020 - 9 p. - Published in : Phys. Rev. B 102 (2020) 104115
Detaljert visning - Lignende elementer
2.
(91)
Ca$_3$Mn$_2$O$_7$ structural path unraveled by atomic-scale properties: A combined experimental and ab initio study / Rocha-Rodrigues, P (Porto U.) ; Santos, S S M (Porto U.) ; Miranda, I P (Sao Paulo U.) ; Oliveira, G N P (Porto U.) ; Correia, J G (Lisbon, IST) ; Assali, L V C (Sao Paulo U.) ; Petrilli, H M (Sao Paulo U.) ; Araújo, J P (Porto U.) ; Lopes, A M L (Porto U.)
The structural phase transition path from the low-temperature polar structure up to the highest symmetric phase in the hybrid improper ferroelectric Ca$_3$Mn$_2$O$_7$ compound is here investigated at atomic scale. Measurements using the perturbed angular correlation local probe technique are combined with ab initio electronic structure calculations to observe the evolution of the electric field gradient parameters at the Ca site within the 10–1200 K temperature range. [...]
2020 - 10 p. - Published in : Phys. Rev. B 101 (2020) 064103 Fulltext from publisher: PDF;
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3.
(68)
Group Theory Analysis to Study Phase Transitions of Quasi-2D Sr$_{3}$Hf$_{2}$O$_{7}$ / Lora da Silva, Estelina (Porto U.) ; Gerami, Adeleh Mokhles (IPM, Tehran ; CERN) ; Neenu Lekshmi, P (Porto U.) ; Marcondes, Michel L (Sao Paulo U.) ; Assali, Lucy V C (Sao Paulo U.) ; Petrilli, Helena M (Sao Paulo U.) ; Correia, Joao Guilherme (CERN ; Lisbon U.) ; Lopes, Armandina M L (Porto U.) ; Araújo, João P (Porto U.)
We present an $ab-initio$ study performed in the framework of density functional theory, group-subgroup symmetry analysis and lattice dynamics, to probe the octahedral distortions, which occur during the structural phase transitions of the quasi-2D layered perovskite Sr$_{3}$Hf$_{2}$O$_{7}$ compound. Such a system is characterized by a high-temperature I4/mmm centrosymmetric structure and a ground-state Cmc21 ferroelectric phase. [...]
2021 - 16 p. - Published in : Nanomaterials 11 (2021) 897 Fulltext: PDF;
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4.
(28)
New Phase Transition in the $Pr_{1-x}Ca_{x}MnO_{3}$ System : Evidence for Electrical Polarization in Charge Ordered Manganites / Lopes, A M (CERN ; Porto U. ; Aveiro U.) ; Araújo, J P (Porto U.) ; Amaral, V S (Aveiro U.) ; Correia, G (CERN ; ITN, Sacavem) ; Tomioka, Y (CERC, Tsukuba, Japan) ; Tokura, Y (Tokyo U.)
In this Letter a detailed study of the electric field gradient (EFG) across the Pr1-xCaxMnO3 phase diagram and its temperature dependence is given. Clearly, distinct EFG behavior for samples outside or inside the charge order (CO) region are observed. [...]
2008 - Published in : Phys. Rev. Lett. 100 (2008) 155702 APS Published version, local copy: PDF;
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5.
(21)
High-resolution MN EXAFS of the oxygen-evolving complex in photosystem II : Structural implications for the Mn (4) Ca cluster / Yano, J ; Bergmann, U ; Glatzel, P ; Lewis, A ; Messinger, J ; Pushkar, Y ; Sauer, K ; Yachandra, V
SLAC-REPRINT-2005-292.- Stanford, CA : SLAC, 2005 - Published in : J. Am. Chem. Soc.: 127 (2005) , pp. 14974-14975
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6.
(20)
Structure of the photosynthetic Mn4Ca cluster using X-ray spectroscopy / Yano, J ; Kern, J ; Latimer, M ; Sauer, K ; Pushkar, Y ; Messinger, J ; Zouni, A ; Yachandra, V
SLAC-REPRINT-2007-208.- Stanford, CA : SLAC, 2007 - Published in : Photosynth. Res.: 91 (2007) , pp. 174-175
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7.
(18)
Local probe studies on lattice distortions and electronic correlations in manganites / lopes, Armandina
This thesis presents an experimental study on lattice distortions and electronic correlations in colossal magnetoresistive magnetic oxides [...]
CERN-THESIS-2006-126 - 190 p.

Fulltext
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8.
(18)
 Probing structural transitions in M(II) vanadates (M = Zn, Mn, Cd, Ca) with TDPAC spectroscopy - ISOLDE.
Approved: 16 March 2023.-
Status: Preparation
Experiment: IS732
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9.
(18)
First principles calculations of hyperfine parameters on the Ca manganite with substitutional Cd-modeling of a PAC experiment / Goncalves, JN (Aveiro U.) ; Correia, J G (CERN ; ITN, Sacavem) ; Lopes, A M L (Lisbon U.) ; Haas, H (CERN) ; Amaral, V S (Aveiro U.) ; Goncalves, J N (Aveiro U.)
The APW + lo (augmented plane waves + local orbitals) method of density functional theory, as implemented in the Wien2k code, is applied to calculate the electric field gradient of manganites. We report the first principles calculations on CaMnO3, and modeling of a perturbed angular correlation experiment with implanted Cd-111m isotope. [...]
2010 - Published in : J. Magn. Magn. Mater. 322 (2010) 1170-1173
In : Joint European Magnetic Symposia, Dublin, Ireland, 14 - 19 Sep 2008, pp.1170-1173
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10.
(18)
Local inhomogeneous state in multiferroic SmCrO$_{3}$ / Oliveira, G N P (Porto U.) ; C Teixeira, R (Porto U.) ; Moreira, R P (Porto U.) ; Correia, J G (Lisbon, IST) ; P Araújo, J (Porto U.) ; Lopes, A M L (Porto U.)
Rare-earth orthochromites with distorted perovskite structure (e.g. RCrO$_{3}$, R = Sm, Gd) have been under strong debate with respect to the origin of their ferroelectric order. [...]
2020 - 12 p. - Published in : Sci. Rep. 10 (2020) 4686 Fulltext: PDF;
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