Spin and orbital disordering by hole doping in Pr1-xCaxVO3
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The magnetic and structural properties of polycrystalline Co4-xNixNb2O9 (x = 1, 2) have been investigated by neutron powder diffraction, magnetization and heat capacity measurements, and density functional theory (DFT) calculations. For x = 1, the compound ...
We investigated the influence of oxygen overstoichiometry on apical oxygen disorder and magnetic correlations in Nd2NiO4+delta (delta similar to 0.11) in the temperature range of 2-300 K by means of synchrotron x-ray powder diffraction, neutron single-crys ...
We report that Cu9O2(SeO3)(4)Cl-6 is a new multiferroic compound. Comprehensive studies of this compound have been carried out on single crystals as well as polycrystalline samples. Magnetic susceptibility chi and specific heat C with H parallel to c axis ...
We report on the magnetism of charge-stripe ordered La2NiO4.11 +/- 0.01 by neutron scattering and mu SR. On going towards zero energy transfer there is an observed wave vector offset in the centring of the magnetic excitations and magnetic Bragg reflection ...
This thesis is dedicated to the study of various aspects of the electronic structure of two-dimensional transition metal dichalcogenides (TMDs) of chemical composition MX2 (where M is a transition metal atom and X= S, Se, Te), using a combination of \te ...
X-ray powder diffraction (XRPD)-based quantitative phase analysis is a common technique for studying the hydration of cementitious systems. Hydrated cements often comprise several amorphous or nanocrystalline phases. This paper presents a protocol for the ...
A fundamental part of the puzzle of unconventional superconductivity in the Fe-based superconductors is the understanding of the magnetic and nematic instabilities of the parent compounds. The issues of which of these can be considered the leading instabil ...
In this work we investigate how the crystal packing affects the spin crossover (SCO) of [Fe-II(2-pic)(3)]Cl-2. Four alcohol solvatomorphs of this compound have been reported to present a transition from a singlet low spin (LS, S = 0) to a quintet high spin ...
Ternary alloys Co-Zn-Mn with beta-Mn-type structure exhibit helimagnetic order and skyrmion lattice states in a low-Mn-concentration region. Recent studies on Co10-x/2Zn10-x/2Mnx (CZM) revealed that the magnetic modulation period and the paramagnetic-to-he ...
We propose a self-consistent site-dependent Hubbard U approach for density functional theory (DFT)+U calculations of defects in complex transition metal oxides, using Hubbard parameters computed via linear response theory. The formation of a defect locally ...