21:I[432972,["/_next/static/chunks/bb923814e1f4d2e9.js","/_next/static/chunks/dd3ee9f5b7716ca6.js","/_next/static/chunks/4204a0ae82542ca8.js","/_next/static/chunks/1270dead247da766.js","/_next/static/chunks/6e1aa89a642f40be.js","/_next/static/chunks/b3eb9795ffa7b0d3.js","/_next/static/chunks/8ffd0b71567920d8.js","/_next/static/chunks/67ea6dfd21f16c5f.js","/_next/static/chunks/24eb4379f68013fd.js","/_next/static/chunks/b8cd775ffdf935bd.js","/_next/static/chunks/983103cd9eb7b428.js","/_next/static/chunks/263f2cdcb9aa2341.js","/_next/static/chunks/294b9525248c8e5f.js"],"default"] 22:T518,The thermoelectric performance of XMg₂Bi₂ (X = Sr, Ba) materials is systematically investigated through integrated first-principles calculations, Boltzmann transport theory, and a two-channel model in this work. The temperature-activated static-dynamic transition in X (X = Sr, Ba) atoms vibrations induces a Janus effect of phonons, facilitating dual phonon transport regimes characterized by normal phonon and diffusons. The comparable ionicity between X²⁺ (X = Sr, Ba) and [Mg₂Bi₂]^2- layers disrupts the conventional Zintl-phase characteristics, leading to an atypically isotropic lattice thermal conductivity within their materials. Concurrently, charge-insulating X²⁺ (X = Sr, Ba) layers restrict out-of-plane carrier mobility, creating a distinctive two-dimensional (2D) electronic transport framework superimposed on three-dimensional (3D) phonon dynamics. By disentanglement of the cross-dimensional transport phenomena through a two-channel model and multicarrier scattering analysis, the XMg₂Bi₂ (X = Sr, Ba) materials achieve remarkable thermoelectric performance with the optimal figure of merits (ZT_max) of 1.5 (p-type) and 1.9 (n-type) at 600 K, respectively.

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