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Search results for: SPIN-CROSSOVER TRANSITION
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Optimization of the femtosecond laser impulse for excitation and the spin-orbit-mediated dissociation in the NaRb molecule
Open Research DataHigh accuracy ab initio potential energy curves (1tSigma+, 2sSigma+, 1tPi), electronic transition dipole moment function (1tSigma+ - 1tPi), and spin-orbit coupling (2sSigma+ - 1tPi) have been calculated for the NaRb molecule. The time-dependent excitation and dissociation processes in the polar alkali diatomic NaRb molecule and the quantum properties...
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Spin-Orbit Coupling Matrix Elements in the KRb Molecule
Open Research DataThe allowed 190 spin-orbit coupling (SOC) matrix elements have been calculated for the singlet (s) and triplet (t) Sigma+ (S+), Pi (P), and Delta (D) electronic states of the KRb molecule. These SOCs are needed for investigations of areas connected with classical spectroscopy, deperturbation analysis of the observed spectra, atom-molecule and molecule-molecule...
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THERMION-C2S_0301 Phase transition in Cu1.96Se
Open Research DataInvestigation of a phase transition in Cu1.96Se was investigated. The data contains results of thermal analysis (DSC) and thermoelectric properties measurements. These measurements were performed with different heating and cooling rates. Structure and elemental composition were also analysed. The data shows the influence of the kinetics of the transition...
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Transition dipole moment functions of the KRb molecule
Open Research DataElectronic transition dipole moment functions (TDMF) have been calculated for the singlet (s) and triplet (t) Sigma+ (S+), Pi (P), and Delta (D) electronic states of the KRb molecule. TDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the transition dipole moments...
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The 2p XPS spectra of transition metals in Ce0.9M0.1O2
Open Research DataThe dataset consists of 2p XPS spectra of transition metals in Ce0.9M0.1O2 where (M=Mn, Fe, Co, Ni, Cu). X-ray Photoelectron Spectroscopy analysis (XPS) was performed using X-ray photoelectron spectrometer Omnicron NanoTechnology with 128-channel collector. XPS measurements were undertaken in ultra-high vacuum conditions, below 1.1x10-8 mbar. Photoelectrons...
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Anomalous anisotropy of deuterium-grown boron-doped diamond and the role of boron-tetramers in the Mott-Insulator transition
Open Research DataWe show anisotropy in the superconductivity for boron-doped diamond thin films prepared with Microwave Plasma Assisted Chemical Vapor Deposition using deuterium-rich plasma. This anomalous phase transition is linked with the emergence of boson quantum entanglement states behaving as a bosonic insulating state. Here, we show that the superconducting...
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The reductivity of the transition metals - calculations
Open Research DataThe dataset includes the reduction enthalpy and Gibbs energy simulated for Co, Cu, Fe, La, Mo, Ni, Sr, Ti, and W from oxide form into metallic form in hydrogen. Simulations were performed using HSC Chemistry software.
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Electronic transition dipole moment functions of the second triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second triplet Sigma ungerade plus (2tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the third singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the third singlet Sigma gerade plus (3sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the third triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the third triplet Sigma ungerade plus (3tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fourth triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fourth triplet Sigma ungerade plus (4tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fourth singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fourth singlet Sigma gerade plus (4sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the second singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second singlet Sigma gerade plus (2sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fifth singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fifth singlet Sigma gerade plus (5sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fifth triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fifth triplet Sigma ungerade plus (5tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Sigma gerade plus (1sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first triplet Sigma ungerade plus (1tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first singlet Delta gerade and first triplet Delta ungerade states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Delta gerade (1sDg) and first triplet Delta ungerade (1tDu) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Electronic transition dipole moment functions of the first singlet Pi gerade and first triplet Pi gerade states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Pi gerade (1sPg) and first triplet Pi gerade (1tPg) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Electronic transition dipole moment functions of the second singlet Pi gerade and second triplet Pi gerade states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second singlet Pi gerade (2sPg) and second triplet Pi gerade (2tPg) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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THERMION-C2S_10 Ionic thermoelectri effect in the phase transition in Cu2Se
Open Research DataThe dataset contains results of measurements of the ionic thermoelectric effect in copper selenide with Cu1.99Se and Cu1.8Se compositions. X-Ray diffraction data, SEM images and EDX spectra of the samples are also in the dataset.
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Electronic transition dipole moment functions of the second singlet Sigma ungerade plus and second triplet Sigma gerade plus states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second singlet Sigma ungerade plus (2sSu+) and second triplet Sigma gerade plus (2tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the first singlet Sigma ungerade plus and first triplet Sigma gerade plus states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Sigma ungerade plus (1sSu+) and first triplet Sigma gerade plus (1tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the third singlet Sigma ungerade plus and third triplet Sigma gerade plus states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the third singlet Sigma ungerade plus (3sSu+) and third triplet Sigma gerade plus (3tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Quasirelativistic potential energy curves of NaRb dimer
Open Research DataThis data presents potential energy curves of NaRb dimer, that include spin-orbit interaction, in Hund's case (c). Calculated using Born-Oppenheimer approximation with relativistic effects included via large spin-orbit effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron...
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Depth XPS profile of vanadium pentoxide
Open Research DataVanadium pentoxide sample was manufactured by sol-gel method and deposited on a substrate by spin coating technique. To determine depth profile of chemical composition of thin film, etching by Argon ion gun was used. Thin film was etched three times. Chemical composition was measured by XPS method.
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Impedance spectroscopy of the lithium titanate doped by copper thin films
Open Research DataLithium titanate doped by copper thin films were derived by sol-gel method. Prepared gel was deposited by spin-coating technique. Samples with various content of Cu were measured by impedance spectroscopy method in a wide range of temperature, from -120 up to 150 deg.
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Optical measurements of LTO:Cu sol-gel derived thin films
Open Research DataLithium titanate doped by copper thin films were manufactured by chemical, sol-gel method. Flms were deposited on a Corning glass substrated by spin coater. To calculated optical band gap and other optcal parameters, UV-VIS spectroscopy measurements were performed. For measurements selected samples with various content of Cu.
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Morphology of the sol-gel derived LTO:Cu films
Open Research DataMorphology of the lithium titanate doped by Cu thin films were investigated by SEM microscope. Films were deposited by spin-coater from sol-gel derived sol. SEM images showed a high porous structure, tipaciall for sol-gel based films. For measurements samples with a various content of Cu were selected.
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Structure and optical measurements of Eu doped tellurium oxide thin films
Open Research DataThin films were deposited by magnetron sputtering method and simultaneously heated at 200 oC. Presence of Eu ions and their valence states was confirmed by X-ray photoemission spectroscopy measurements. The structure of the films as well as the influence of europium dopant on crystalline structure of the films was examined by X-ray diffraction method. ...
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High temperature X-Ray difractogramms of multicomponent orthoniobate
Open Research DataHigh-temperature XRD of calcium-doped (La0.2Nd0.2Sm0.2Gd0.2Eu0.2)1-xCaxNbO4-δ (x = 0.05) ortho-niobate. The oxide undergoes the transition between monoclinic and tetragonal structures.
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The luminescence study of (C10H16N)2MnBr4 Organic–Inorganic Hybrid
Open Research DataOrganic–inorganic hybrid metal halides have recently attracted attention in the global research field for their bright light emission, tunable photoluminescence wavelength, and convenient synthesis method. This study reports the detailed properties of (C10H16N)2MnBr4, which emits bright green light with a high photoluminescence quantum yield. Results...
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TEM micrographs of V2O5 nanostructures
Open Research DataThe DataSet contains the TEM images of V2O5 nanostructures obtained by the sol-gel method.
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The luminescence study of Ga1.98–xAlxO3:0.02Cr3+ coumpounds.
Open Research DataA chemical and mechanical pressure-induced photoluminescence tuning method was developed through structural evolution and hydrostatic pressure involving phase transition. A series of Ga1.98−xAlxO3:0.02Cr3+ phosphors were synthesized by collaborators from National Taiwan University. Structural evolution reveals a crystal phase change with the incorporation...
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TEM micrographs of ammonium vanadate nanocrystals
Open Research DataThe DataSet contains the TEM images of ammonium vanadate nanobelts obtained by the hydrothermal method with different conditions. The results show that the microstructure of an ammonium vanadate single nanobelt dependent on reaction condition.
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Luminescence properties of TeOx thin films annealing under an oxidizing atmosphere
Open Research DataThe DataSet contains the emission and excitation spectra of TeOx thin films. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. The sol was obtained by vigorously stirring precursor solution at 50°C for 2h, then the temperature was raised...
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Luminescence properties of TeOx-Eu thin films
Open Research DataThe DataSet contains the emission and excitation spectra of TeOx-Eu thin films. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. Next, the 5% mol of europium ions were added, the nitrates were used as a source of rare-earth ions. The...
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Luminescence properties of TeOx-Tb thin films
Open Research DataThe DataSet contains the emission and excitation spectra of TeOx-Tb thin films. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. Next, the 5% mol of terbium ions were added, the nitrates were used as a source of rare-earth ions. The...
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Luminescence properties of TeOx-Dy thin films
Open Research DataThe DataSet contains the emission and excitation spectra of TeOx-Dy thin films. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. Next, the 5% mol of dysprosium ions were added, the nitrates were used as a source of rare-earth ions....
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Electrical responses of nanostructured ZrS3 as field-effect transistor for nitrogen dioxide, ethanol, and acetone detection enhanced by visible light
Open Research DataSmall-area layers of nanostructured ZrS3 were fabricated and measured in the field-effect transistor configuration. Irradiation with visible light enabled generating photocurrent and increasing the sensitivity to selected ambient gases: nitrogen dioxide, ethanol, and acetone. The data set consists of electrical responses (current vs. voltage characteristics...
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Luminescence properties of TeOx-Dy thin films annealing under an oxidizing atmosphere
Open Research DataThe DataSet contains the emission and excitation spectra of TeOx-Dy thin films. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. Next, the 5% mol of dysprosium ions were added, the nitrates were used as a source of rare-earth ions....
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Luminescence properties of TeOx-Tb thin films annealing under an oxidizing atmosphere
Open Research DataThe DataSet contains the emission and excitation spectra of TeOx-Tb thin films. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. Next, the 5% mol of terbium ions were added, the nitrates were used as a source of rare-earth ions. The...
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Luminescence properties of TeOx-Eu thin films annealing under an oxidizing atmosphere
Open Research DataThe DataSet contains the emission and excitation spectra of TeOx-Eu thin films. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. Next, the 5% mol of europium ions were added, the nitrates were used as a source of rare-earth ions. The...
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Phoenixin-14 effect on viability and THBS2 and CDH1 expression in 12Z endometriosis cell line
Open Research DataPhoenixin-14 is a neuropeptide produced by the paraventricular nuclei of the anterior hypothalamus that regulates reproductive system functions. Its level in patients with endometriosis is reduced and may be the cause of dysregulated HPG-axis. Our study tested endometriosis-specific concentrations of PNX-14 on endometrial epithelial cell line 12Z in...
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Luminescence properties of TeOx-2%Eu1.5%Tb1.5%Dy thin films annealing under an oxidizing atmosphere
Open Research DataThe DataSet contains the emission and excitation spectra of TeOx-2%Eu1.5%Tb1.5%Dy thin films. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. Next, the 5% mol of rare-earth ions were added, the nitrates were used as a source of rare-earth...
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Luminescence properties of TeOx-2%Eu1.5%Tb1.5%Tm thin films annealing under an oxidizing atmosphere
Open Research DataThe DataSet contains the emission and excitation spectra of TeOx-2%Eu1.5%Tb1.5%Tm thin films. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. Next, the 5% mol of rare-earth ions were added, the nitrates were used as a source of rare-earth...
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Luminescence properties of TeOx-1%Eu1.5%Tb2.5%Dy thin films annealing under an oxidizing atmosphere
Open Research DataThe DataSet contains the emission and excitation spectra of TeOx-1%Eu1.5%Tb2.5%Dy thin films. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. Next, the 5% mol of rare-earth ions were added, the nitrates were used as a source of rare-earth...
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DSC and TG results for strontium ferrite molybdate: pristine La, or Nb-doped
Open Research DataThis dataset consists of DSC and TG data collected for SFM, LSFM (La-doped) and SFMNb (Nb-doped) compounds, which were undertaken to analyze the reoxidation process of reduced compounds and its transition to double-perovskite structure .The appropriate amount of the powder (~10 mg with 10% tolerance factor) were placed into the alumina crucible and...
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X-Ray photoemission spectroscopy measurements of the Nb-V-Sr-O ceramics
Open Research DataNiobium doped strontium vanadate based perovskite SrV1-xNbxO3-δ materials were prepared via conventional solid state reaction (SSR) method. For comparison, different samples with a various amount of niobium dopant in the structure were synthesized; x = 0; 0,2; 0,5; 0,8 and 1. Samples were sintered by two-steps: first under a pure hydrogen (purity >99.999%)...
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SEM/EDX data of (Cr,Fe,Mn,Co,Ni)3O4 High-entropy spinel oxide thin films deposited on amorphous SiO2 substrate by spray pyrolysis techniqe
Open Research DataThis Data set include SEM and EDX results of (Mn,Co,Fe,Ni,Cr)3O4 high-entropy spinel oxide prepared in the form of a ~ 500 nm thin film utilising a facile spray pyrolysis technique. The structural and electrical properties of the layers were characterised after exposure to temperatures in the range of 400–900 ◦C. The as-deposited layers were amorphous,...