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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 …
investigate the structural, mechanical, electronic, lattice dynamics, and thermodynamic …
Low thermal conductivity and semimetallic behavior in some TiNiSi structure-type compounds
Motivated by recent advances in half-Heusler based thermoelectric materials, we
investigated the phase stability and thermoelectric properties of compounds ZrNiSi, ZrNiGe …
investigated the phase stability and thermoelectric properties of compounds ZrNiSi, ZrNiGe …
Structural and thermal stability of B20-type high-pressure phases FeGe and MnGe
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 …
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
Here, we study B20-type RhGe, a representative of a class of non-centrosymmetric
monosilicides and monogermanides, which possess unique topological and magnetic …
monosilicides and monogermanides, which possess unique topological and magnetic …
Toledoite, TiFeSi, a New Mineral from Inclusions in Corundum Xenocrysts from Mount Carmel, Israel
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 …
the Mount Carmel area, Israel, seven new oxide and alloy minerals have been discovered …