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Creators/Authors contains: "Goncharov, Alexander F."

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  1. Abstract

    In this study, we conduct extensive high‐pressure experiments to investigate phase stability in the cobalt‐nitrogen system. Through a combination of synthesis in a laser‐heated diamond anvil cell, first‐principles calculations, Raman spectroscopy, and single‐crystal X‐ray diffraction, we establish the stability fields of known high‐pressure phases, hexagonal NiAs‐type CoN, and marcasite‐type CoN2within the pressure range of 50–90 GPa. We synthesize and characterize previously unknown nitrides, Co3N2,Pnma‐CoN and two polynitrides, CoN3and CoN5, within the pressure range of 90–120 GPa. Both polynitrides exhibit novel types of polymeric nitrogen chains and networks. CoN3feature branched‐type nitrogen trimers (N3) and CoN5show π‐bonded nitrogen chain. As the nitrogen content in the cobalt nitride increases, the CoN6polyhedral frameworks transit from face‐sharing (in CoN) to edge‐sharing (in CoN2and CoN3), and finally to isolated (in CoN5). Our study provides insights into the intricate interplay between structure evolution, bonding arrangements, and high‐pressure synthesis in polynitrides, expanding the knowledge for the development of advanced energy materials

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    Free, publicly-accessible full text available June 6, 2025
  2. Free, publicly-accessible full text available February 1, 2025
  3. A new diamond anvil cell experimental approach has been implemented at the European x-ray Free Electron Laser, combining pulsed laser heating with MHz x-ray diffraction. Here, we use this setup to determine liquidus temperatures under extreme conditions, based on the determination of time-resolved crystallization. The focus is on a Fe-Si-O ternary system, relevant for planetary cores. This time-resolved diagnostic is complemented by a finite-element model, reproducing temporal temperature profiles measured experimentally using streaked optical pyrometry. This model calculates the temperature and strain fields by including (i) pressure and temperature dependencies of material properties, and (ii) the heat-induced thermal stress, including feedback effect on material parameter variations. Making our model more realistic, these improvements are critical as they give 7000 K temperature differences compared to previous models. Laser intensities are determined by seeking minimal deviation between measured and modeled temperatures. Combining models and streak optical pyrometry data extends temperature determination below detection limit. The presented approach can be used to infer the liquidus temperature by the appearance of SiO2 diffraction spots. In addition, temperatures obtained by the model agree with crystallization temperatures reported for Fe–Si alloys. Our model reproduces the planetary relevant experimental conditions, providing temperature, pressure, and volume conditions. Those predictions are then used to determine liquidus temperatures at experimental timescales where chemical migration is limited. This synergy of novel time-resolved experiments and finite-element modeling pushes further the interpretation capabilities in diamond anvil cell experiments.

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    Free, publicly-accessible full text available September 7, 2024