The first-principles band theory paradigm has been a key player not only in the process of
discovering new classes of topologically interesting materials, but also for identifying salient …

As a key type of emerging thermoelectric material, tin telluride (SnTe) has received
extensive attention because of its low toxicity and eco‐friendly nature. The recent trend …

Over the past decade, topological materials—in which the topology of electron bands in the
bulk material leads to robust, unconventional surface states and electromagnetism—have …

Stable ferroelectricity with high transition temperature in nanostructures is needed for
miniaturizing ferroelectric devices. Here, we report the discovery of the stable in-plane …

Instilling defect tolerance in new compounds | Nature Materials Skip to main content Thank
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The core effects of high entropy alloys distinguish high entropy alloying from ordinary
multielement do**, allowing for a synergy of band structure and microstructure …

The multivalence bands in GeTe provide an additional handle to manipulate the
thermoelectric performance. Herein, the density‐functional‐theory calculation indicates that …

We report several synergistic effects in Hg alloying of SnTe to enhance the power factor and
overall figure of merit ZT. Hg alloying decreases the energy separation between the two …

Driven by materials science development, the thermoelectric performance has been
enhanced. However, only increasing the figure of merit to enhance the thermoelectric …