Germanium telluride (GeTe) with ultrafast ferroelectric transition, Rashba‐like electronic
transport, and anomalous phonon anharmonicity are historically studied for potential …

We investigate the structure and thermoelectric properties of a new high-entropy solid
solution system AgMnSn1–x Pb x SbTe4 (x= 0, 0.25, 0.5, 0.75, and 1), which crystallizes in …

ABSTRACT Gallium oxide (Ga2O3) is a promising semiconductor for next-generation high-
power electronics due to its ultra-wide bandgap and high critical breakdown field. To utilize …

Optimizing n-type PbTe thermoelectric materials to match their better-performing p-type
counterparts is critical for realizing their practical applications. To overcome this gap …

Thermoelectric oxide thin films are promising in chip cooling. The issues on the orientation
of thin films are essential as they are related to the structures, morphologies, and …

Cu 3 SbSe 4-based thermoelectric materials, known for their complex crystal structure and
splendid Seebeck coefficient, have garnered significant attention. However, a major …

Transition metal dichalcogenides have attracted extensive research attention due to their
unique electronic, topological, and optical properties. Based on first-principles methods and …

A general method is presented for modeling high-entropy alloys as ensembles of randomly
sampled, ordered configurations on a given lattice. Statistical mechanics is applied post hoc …

Characterizing local bonding environments in complex materials is essential for
understanding and optimizing their properties. Equally as important is the ability to predict …

Abstract Half-Heusler tellurides (M IV M VIII Te, where M IV= Ti, Zr, Hf, and M VIII= Fe, Ru,
Os) with 18 valence electrons were the subject of theoretical predictions from first principles …