output
20032024
most citedOxygen diffusion in nanostructured perovskites

32 citations

13 papers

cond-mat.mtrl-sci2024★ 1 cited

How grain structure evolution affects kinetics of a solid-state reaction: a case of interaction between iridium and zirconium carbide

Ya. A. Nikiforov, V. A. Danilovsky, N. I. Baklanova

This work investigates the solid-state reaction between iridium and zirconium carbide, resulting in the formation of carbon and -- an intermetallic compound of…

cond-mat.mtrl-sci2023★ 5 cited

Ultrafast Polarization Switching in BaTiO Nanomaterial: Combined DFT and Coupled Oscillator Study

Petr Zhilyaev, Kirill Brekhov, Elena Mishina +1

The challenge of achieving ultrafast switching of electric polarization in ferroelectric materials remains unsolved, as there is no experimental evidence of such switching to date.…

cond-mat.mtrl-sci2023★ 10 cited

Generating and grading 34 Optimized Norm-Conserving Vanderbilt Pseudopotentials for Actinides and Super Heavy Elements in the PseudoDojo

Christian Tantardini, Miroslav Iliaš, Matteo Giantomassi +3

In the last decades, material discovery has been a very active research field driven by the need to find new materials for many different applications. This has also included mater…

cond-mat.mtrl-sci2023★ 16 cited

Material Hardness Descriptor Derived by Symbolic Regression

Christian Tantardini, Hayk A. Zakaryan, Zhong-Kang Han +4

Hardness is a materials' property with implications in several industrial fields, including oil and gas, manufacturing, and others. However, the relationship between this macroscal…

cond-mat.mtrl-sci2021★ 29 cited

Sr-Doped Molecular Hydrogen: Synthesis and Properties of SrH

Dmitrii V. Semenok, Wuhao Chen, Xiaoli Huang +9

Recently, several research groups announced reaching the point of metallization of hydrogen above 400 GPa. Following the mainstream of extensive investigations of compressed polyhy…

cond-mat.mtrl-sci2009★ 18 cited

Condensation of a tetrahedra rigid-body libration mode in HoBaCo4O7 : the origin of phase transition at 355 K

A. I. Rykov, Y. Ueda, M. Isobe +6

Rietveld profiles, Moessbauer spectra and x-ray absorption fine structure (XAFS) were analyzed through the structural phase transition at Ts = 355 K in HoBaCo4O7. Excess of the oxy…