ArticleNature communications2024
Interplay between metavalent bonds and dopant orbitals enables the design of SnTe thermoelectrics.
Article in Nature communications, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
What it found
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Who cites it
8 citing papers in PubMed.
- Interstitial Copper Doping and Thermally Activated Rattling in LaAngewandte Chemie (International ed. in English) · 2026Article
- Entropy-Enabled Hierarchical Defect Architecture for Dual Enhancement of Thermoelectric and Mechanical Performance in SnTe Alloys.Advanced materials (Deerfield Beach, Fla.) · 2026Article
- Chemical bonding manipulation unlocks high performance ionic-bonded thermoelectrics.Nature communications · 2026Article
- Nanotwin architecture and ultra-high valley degeneracy lead to high thermoelectric performance in GeTe-based thermoelectric materials.Nature communications · 2026Article
- Structure and composition of grain boundaries and their impact on functional properties of energy materials.MRS bulletin · 2026Review
- Thermoelectric device for active thermal concealment, deception and messaging.Nature communications · 2025Article
- Intensive Widmannstätten Nanoprecipitates Catalyze SnTe With State-of-the-Art Thermoelectric Performance.Advanced materials (Deerfield Beach, Fla.) · 2025Article
- Advances and Challenges in SnTe-Based Thermoelectrics.Advanced materials (Deerfield Beach, Fla.) · 2025Review
Corrections and comments
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Authors and funding
17 authors.
Funding
Abstract
Engineering the electronic band structures upon doping is crucial to improve the thermoelectric performance of materials. Understanding how dopants influence the electronic states near the Fermi level is thus a prerequisite to precisely tune band structures. Here, we demonstrate that the Sn-s states in SnTe contribute to the density of states at the top of the valence band. This is a consequence of the half-filled p-p σ-bond (metavalent bonding) and its resulting symmetry of the orbital phases at the valence band maximum (L point of the Brillouin zone). This insight provides a recipe for identifying superior dopants. The overlap between the dopant s- and the Te p-state is maximized, if the spatial overlap of both orbitals is maximized and their energetic difference is minimized. This simple design rule has enabled us to screen out Al as a very efficient dopant to enhance the local density of states for SnTe. In conjunction with doping Sb to tune the carrier concentration and alloying with AgBiTe
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Registered trials
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