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Accurate and efficient band-gap predictions for metal halide perovskites at f...
We develop a computationally efficient scheme to accurately determine finite-temperature band gaps. We here focus on materials belonging to the class ABX3 (A = Rb, Cs; B = Ge,... -
Accurate and efficient band-gap predictions for metal halide perovskites at f...
We develop a computationally efficient scheme to accurately determine finite-temperature band gaps. We here focus on materials belonging to the class ABX3 (A = Rb, Cs; B = Ge,... -
Nonempirical hybrid functionals for band gaps of inorganic metal-halide perov...
Nonempirical hybrid functionals are investigated for band-gap predictions of inorganic metal-halide perovskites belonging to the class CsBX3 , with B = Ge, Sn, Pb and X = Cl,... -
Origin of low carrier mobilities in halide perovskites
Halide perovskites constitute a new class of semiconductors that hold promise for low-cost solar cells and optoelectronics. One key property of these materials is the electron... -
Motional Narrowing Effects in the Excited State Spin Populations of Mn-Doped ...
Spin-orbit coupling in the electronic states of solution-processed hybrid metal halide perovskites forms complex spin-textures in the band structures and allows for optical... -
Magnetic structure and multiferroicity in metal-formate perovskites
The family of guanadinium metal formates (M=Mn, Fe, Co, Ni, Cu) are isostructural with the perovskites and are therefore of interest for potential applications: in particular,... -
Crystal and magnetic structures of new ruthenate perovskites
Ruthenate perovskites have a diverse range of electronic properties originating from electron-electron correlations within broad 4d bands. We have recently investigated the high... -
Structural studies on complex ACu3Ti4O12-type perovskites.
Abstract. We request one day of beamtime on POLARIS to collect Neutron Diffraction (ND) data from a variety of ACu3Ti4O12-type perovskite-related compounds that exhibit higher... -
probing the spin dynamics in spin/orbital liquids based on Mo based B-site or...
We propose a continuation of experiment RB910427, for EMU after the station upgrade. We would like to use muon spin relaxation spectroscopy to probe the spin dynamics in the... -
Strain/order parameter coupling and anomalous elastic properties of Sr(Ti,Zr)...
HRPD data will be collected in situ at low and high temperatures from perovskites belonging to the Sr(ZrxTi1-x)O3 solid solution which have recently been characterised for their... -
Spin and cation order in AMn3B4O12 perovskites
A-site-ordered perovskite oxides with formula AA'3B4O12 have a rich variety of physical and chemical properties. Most have Jahn-Teller active Cu2+ or Mn3+ at the square-planar... -
High Pressure studies of BiMO3 perovskites
Bismuth based perovskites have been shown display many interesting properties. The field of A site bismuth perovskites gained renewed vigour due to the recent demonstration of... -
La0.8Ce0.1Ni0.4Ti0.6O3 633
This dataset has no description
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In-situ conductivity study of double perovskites for use as potential anode m...
It is a challenge to develop materials for use in fuel cell applications. Presently we are preparing new perovskite and double perovskite structured compounds being potential... -
Multiferroicity in metal-formate perovskites
Recent work has revealed that metal-organic frameworks (MOFs) can also exhibit this multiferroicity. These materials are particularly interesting since their structures are... -
hrpd programme access
To determine the temperature evolution of the structures of two Bi-based perovskites with commensurate structures through their magnetic transition temperatures to contrast... -
Cooperative Jahn-Teller distortions in Ru4+ double perovskites
The aim of the proposed experiment is to use HRPD to follow the temperature dependence of the crystal structures of the double perovskites La2MgRuO6 and La2CoRuO6. This is of... -
Temperature induced structural phase transitions in BaPrO3 and acceptor doped...
The sequence of structural phase transitions that occur in distorted ABO3 perovskites as a function of temperature is of intrinsic interest for better understanding of the... -
Motional Narrowing Effects in the Excited State Spin Populations of Mn-Doped ...
Spin-orbit coupling in the electronic states of solution-processed hybrid metal halide perovskites forms complex spin-textures in the band structures and allows for optical...
