Electronic and Thermoelectric Properties of Al doped Mg2Si Material: DFT Study

Magnetic and thermoelectric properties of REMoN3 (RE = La, Ce, Pr, Nd, and Sm): A first‐principles study

“…Further, the underlying physical mechanism at the atomic level is highly related to the DOS, such as the higher DOS due to the degenerate band enhancing carrier concentration. Higher values of electrical conductivity are suggested by the higher DOS at the valence band maxima as compared with the conduction band minima [47‐50]. In the present case, higher values of σ/τ were observed for LaMoN 3 using PBE‐GGA and TB‐mBJ functional.…”

“…However, thermal conductivity with no phonon contribution widely acceptable due to the reasonable agreement with the experimental results [53,54]. Moreover, thermal conduction in metals is carried out predominantly with electrons with less contribution from phonons, while in insulators and semiconductors, it is due to the lattice vibrations (phonons) [45,46,48‐50,52,55]. In Figure 6, thermal conductivity (κ) has been plotted against temperature ranging from 300 to 800 K. All the compounds show a linear increase in κ with an increase in temperature.…”

“…At room temperature, LaMoN 3 has a maximum Seebeck coefficient of 1.0348922 × 10 −6 V/K (using PBE‐GGA), while at 800 K, CeMoN 3 exhibited a large value of Seebeck coefficient. The decreasing trend of the Seebeck values with an increase in temperature may be due to lesser states crossing the Fermi level from valence band maxima to conduction band minima with increasing temperature, causing a small number of charge carriers for conduction purposes [47‐50].…”

“…This is because of the lowest thermal conductivity of NdMoN 3 at 800 K (Figure 6), indicating the best thermoelectric performance compared to other RE MoN 3 ( RE = La, Ce, Pr, Sm) perovskites. However, the ZT value (.028@ NdMoN 3 ) is less than the benchmark value 1, which needs further investigation to optimize its figure of merit by incorporating a suitable dopant [49,58]. One attractive feature of these compounds for thermoelectric applications is their n ‐type character.…”

Fatigue Study of the Pre-Corroded 6082-T6 Aluminum Alloy in Saline Atmosphere

“…6061 aluminum alloys have %Mg + %Si (wt) in amounts greater than 1.4%, which favors the increase in mechanical resistance after heat treatment compared with other alloys such as 6063. Magnesium and silicon form Mg 2 Si compound, which behaves like a semiconductor [2,3]. Additionally, it contains amounts of Cu around 0.25% to improve corrosion resistance and 0.7% Fe, which results in the precipitation of the ternary compounds Al x Fe y Si z [4,5].…”