High entropy alloys contain multiple elements in large proportions that make them prone to
phase separation. These alloys generally have shallow enthalpy of mixing which makes the …

Understanding of phase stability, chemical bonding, and phonon transport are essential to
realize ultralow thermal conductivity in crystalline solids for designing high-performance …

Many cobalt (Co)-based 18-electron half-Heusler compounds usually exhibit good
thermoelectric properties. Due to the increasing scarcity of Co, replacing Co with Fe and Ni …

Entropy is one of the fundamental quantities which links emerging research areas like
flexibility and defect engineering in inorganic–organic hybrid materials. Additionally, a …

A Rietveld analysis of neutron powder diffraction patterns obtained in situ during
temperature scans shows that Fe 2 VAl crystallizes at room temperature in the fully ordered …

Multiband convergence has attracted significant interest due to its positive effects on further
improving thermoelectric performance. However, the current research mainly focuses on two …

Designing an n-type thermoelectric material with a high thermoelectric figure of merit at near
room temperature is extremely challenging. Generally, pristine Ag2Se reveals unusually low …

This work demonstrates how first-principles statistical mechanics approaches within a
Bayesian framework can quantify and propagate uncertainties to downstream …

Understanding of the thermochemical stability of Mg 2 (Si, Sn) thermoelectric materials is
crucial for their applicability in thermoelectric modules. A miscibility gap was reported for the …

Low thermal conductive semiconductors have attracted huge attention for heat management
and heat harvesting applications. Although the weak chemical bonding in the Cu/Ag-based …