The structural, mechanical, electronic, lattice dynamics and thermodynamic properties of TaTSi (T= Rh, Os, Ir) compounds by first-principles calculations

Y Guo, X Yang, R Guo - Computational and Theoretical Chemistry, 2024 - Elsevier
We have performed a theoretical calculation, based on density functional theory, to
investigate the structural, mechanical, electronic, lattice dynamics, and thermodynamic …

Low thermal conductivity and semimetallic behavior in some TiNiSi structure-type compounds

K Saurabh, A Kumar, P Ghosh, S Singh - Physical Review Materials, 2021 - APS
Motivated by recent advances in half-Heusler based thermoelectric materials, we
investigated the phase stability and thermoelectric properties of compounds ZrNiSi, ZrNiGe …

Structural and thermal stability of B20-type high-pressure phases FeGe and MnGe

LV Kamaeva, NM Chtchelkatchev, AA Suslov… - Journal of Alloys and …, 2021 - Elsevier
Stability and phase transformations in the high-pressure-synthesized phases of FeGe and
MnGe with a noncentrosymmetric B20-type crystal structure are studied theoretically using …

Structural transformations and thermal stability of RhGe synthesized under high temperature and pressure

LV Kamaeva, MV Magnitskaya, AA Suslov… - Journal of Physics …, 2022 - iopscience.iop.org
Here, we study B20-type RhGe, a representative of a class of non-centrosymmetric
monosilicides and monogermanides, which possess unique topological and magnetic …

Toledoite, TiFeSi, a New Mineral from Inclusions in Corundum Xenocrysts from Mount Carmel, Israel

C Ma, F Cámara, L Bindi, WL Griffin - Crystals, 2024 - mdpi.com
During our nanomineralogical investigation of melt inclusions in corundum xenocrysts from
the Mount Carmel area, Israel, seven new oxide and alloy minerals have been discovered …