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Angewandte Chemie International ed. Author Correction: How to probe the spin contribution to momentum relaxation in topological insulators. It is reasonable to suggest that compounds like FeN 4 may exist in other metal-nitrogen systems and can be metastable down to ambient pressures. Such stabilizaiton can be potentially achieved through low-temperature decompression or through doping.
The high synthetic pressure for FeN 4 makes it hardly useful for any practical application as a HEDM at present, although its estimated volumetric energy density is 13— However, the information about nitrogen bonding in this compound is important for further theoretical and experimental studies in the field. The cell was loaded with N 2 as a pressure transmitting medium using the gas-loading system installed at the Bayerisches Geoinstitut. Ruby sphere was placed along with the iron pieces for pressure determination. We should note here that generally, pressure in the sample chamber increases after laser heating.
The sample chamber was loaded with nitrogen, which served as a pressure-transmitting medium. In the Experiment 3, the sample was first heated at In the experiment 2, we have used 57 Fe as a starting material. The samples were studied by means of single-crystal X-ray diffraction on the synchrotron beamlines P At selected pressure points, we collected the data with a narrow 0. In the experiment 1 we determined pressure using the fluorescence line R1 of ruby.
Whereas the starting material, a polycrystalline iron foil, gives characteristic Debye-Scherer rings in the diffraction pattern, after the laser-heating in solidified nitrogen, we clearly observed well defined, sharp diffraction spots from multiple grains of new high-pressure phases. Using the Ewald Pro reciprocal space viewing tool for the CrysAlis Pro program 65 , we were able to identify the diffraction spots belonging to certain domains, find their orientation matrices and refine the unit cell parameters.
The structures of the new phases were solved against single-crystal diffraction data. The general procedure of the analysis of a multigrain diffraction dataset is described in ref. We provide several raw diffraction images with grain indexing examples in the Supplementary Figs.
Further discussion regarding indexing solutions is given in the Peer Review file. Diffraction data analysis peak search, unit cell finding, data integration, frame scaling etc. The crystal structures were solved using the computer program SHELXT that employs a dual-space algorithm for the solution of a phase problem General output of the structure solution program was a position of heavy iron atom, while nitrogen atoms were located based on the analysis of residual electron density maps.
The full diffraction data are made available online see Data availability section. Their complexity for processing is obvious due to the reduced data to parameter ratio, which is characteristic for all single-crystal diffraction data sets obtained in a DAC, and due to the presence of diffraction from numerous domains.
If improvements in data processing become available, one can use the present data for reevaluation. The ab-initio calculations were performed using the supercell technique and all electron projector-augmented-wave PAW method 69 as implemented in the VASP code 70 , 71 , Gaussian smearing method was chosen with a smearing width of 0.
We found that FeN is magnetic and used ferromagnetic configuration in our simulations. FeN 2 , and FeN 4 were found to be non-magnetic. With these optimized parameters, we reproduced the results of static calculations obtained by VASP. The data that support the findings of this study are available from the corresponding author upon reasonable request. Eremets, M. Single-bonded cubic form of nitrogen.
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