本論文利用固態反應法，在高溫650 ºC合成出一個具有新穎結構的金屬碲化物Ba3Ag3InTe6。其晶系及空間群為Orthorhombic Cmc21，單位晶格的a、b、c軸長分別為 a = 4.5669(3) Å, b = 27.9366(16) Å, c = 13.3819(8) Å。此化合物之結構是由AgTe4四面體以Te當作共用邊相互連結，形成皺褶層狀結構[Ag3Te4]5－。InTe4四面體以Te為共用角，懸掛在層狀結構[Ag3Te4]5－的兩側，形成鏈狀結構[InTe2]－。Ba2+為陽離子，填充在孔道中作為電荷平衡的角色。經由紫外光可見光近紅外光吸收光譜儀鑑定化合物的能隙大概落在0.48 eV。
熱電性質量測的結果顯示，此化合物是屬於P型半導體。在320400 K溫度區間席貝克係數為325‒334 μV/K。電導率和熱導率在400 K時分別為9.4 S/cm和0.35 W/mK， ZT值為0.11。
電子能帶結構計算指出此化合物是屬於直接能隙，其電洞傳遞和電子傳遞分別主要藉由AgTe4四面體所組成的層狀結構以及InTe4四面體所組成的鏈狀結構所主導。

A new metal telluride Ba3Ag3InTe6 was synthesized by solid-state reaction at 650 ºC. Crystal Data: orthorhombic, Cmc21, a = 4.5669(3) Å, b = 27.9366(16) Å, c = 13.3819(8) Å, V = 1707.3(2) Å3, and Z = 4. This compound adopts a new two-dimensional structure constructed by AgTe4 and InTe4 tetrahedra and Ba2+ cations. The edge-sharing AgTe4 tetrahedra form a puckered layer of [Ag3Te4]5‒ and the corner-sharing InTe4 tetrahedra form a zig-zag chain of [InTe2]‒ that dangles from both edges of the layer. The band gap determined by UV-vis-NIR absorption spectra is estimated to be around 0.48 eV. This compound is a p-type semiconductor with high Seebeck coefficients of 325‒334 μV/K in an entire temperature range of 320–400 K. The electrical conductivity of 9.4 S/cm and the thermal conductivity of 0.35 W/mK give a ZT value of 0.11 at 400 K. The electronic band structure reveals a direct band gap at the Γ point of face centered primitive Brillouin zone. The density of states (DOS) analysis shows that the p-type hole transport is mostly achieved through the layer consisting of AgTe4 tetrahedra.

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