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Semiconducting Ba3Sn3Sb4 and Metallic Ba7–xSn11Sb15–y (x = 0.4, y = 0.6) Zintl Phases
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2017-11-08 00:00:00 , DOI: 10.1021/acs.inorgchem.7b02352 Haijie Chen 1, 2 , Awadhesh Narayan 3 , Constantinos C. Stoumpos 1 , Jing Zhao 1 , Fei Han 2 , Duck Young Chung 2 , Lucas K. Wagner 3 , Wai-Kwong Kwok 2 , Mercouri G. Kanatzidis 1, 2
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2017-11-08 00:00:00 , DOI: 10.1021/acs.inorgchem.7b02352 Haijie Chen 1, 2 , Awadhesh Narayan 3 , Constantinos C. Stoumpos 1 , Jing Zhao 1 , Fei Han 2 , Duck Young Chung 2 , Lucas K. Wagner 3 , Wai-Kwong Kwok 2 , Mercouri G. Kanatzidis 1, 2
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We report the discovery of two ternary Zintl phases Ba3Sn3Sb4 and Ba7–xSn11Sb15–y (x = 0.4, y = 0.6). Ba3Sn3Sb4 adopts the monoclinic space group P21/c with a = 14.669(3) Å, b = 6.9649(14) Å, c = 13.629(3) Å, and β = 104.98(3)°. It features a unique corrugated two-dimensional (2D) structure consisting of [Sn3Sb4]6– layers extending along the ab-plane with Ba2+ atoms sandwiched between them. The nonstoichiometric Ba6.6Sn11Sb14.4 has a complex one-dimensional (1D) structure adopting the orthorhombic space group Pnma, with unit cell parameters a = 37.964(8) Å, b = 4.4090(9) Å, and c = 24.682(5) Å. It consists of large double Sn–Sb ribbons separated by Ba2+ atoms. Ba3Sn3Sb4 is an n-type semiconductor which has a narrow energy gap of ∼0.18 eV and a room temperature carrier concentration of ∼4.2 × 1018 cm–3. Ba6.6Sn11Sb14.4 is determined to be a metal with electrons being the dominant carriers.
中文翻译：
半导体Ba 3 Sn 3 Sb 4和金属Ba 7– x Sn 11 Sb 15– y（x = 0.4，y = 0.6）Zintl相
我们报告发现了两个三元Zintl相Ba 3 Sn 3 Sb 4和Ba 7– x Sn 11 Sb 15– y（x = 0.4，y = 0.6）。Ba 3 Sn 3 Sb 4采用单斜空间群P 2 1 / c，其中a = 14.669（3）Å，b = 6.9649（14）Å，c = 13.629（3）Å，β= 104.98（3）°。它具有由[Sn 3 Sb 4 ]组成的独特的波纹二维（2D）结构。沿ab平面延伸的6层，中间夹有Ba 2+原子。非化学计量的Ba 6.6 Sn 11 Sb 14.4具有采用正交空间群Pnma的复杂一维（1D）结构，其晶胞参数a = 37.964（8）Å，b = 4.4090（9）Å，c = 24.682（ 5）Å。它由被Ba 2+原子隔开的大双Sn-Sb带组成。Ba 3 Sn 3 Sb 4是一种n型半导体，其能隙约为0.18 eV，室温载流子浓度约为4.2×1018厘米–3。Ba 6.6 Sn 11 Sb 14.4被确定为以电子为主要载流子的金属。
更新日期：2017-11-08
中文翻译：
半导体Ba 3 Sn 3 Sb 4和金属Ba 7– x Sn 11 Sb 15– y（x = 0.4，y = 0.6）Zintl相
我们报告发现了两个三元Zintl相Ba 3 Sn 3 Sb 4和Ba 7– x Sn 11 Sb 15– y（x = 0.4，y = 0.6）。Ba 3 Sn 3 Sb 4采用单斜空间群P 2 1 / c，其中a = 14.669（3）Å，b = 6.9649（14）Å，c = 13.629（3）Å，β= 104.98（3）°。它具有由[Sn 3 Sb 4 ]组成的独特的波纹二维（2D）结构。沿ab平面延伸的6层，中间夹有Ba 2+原子。非化学计量的Ba 6.6 Sn 11 Sb 14.4具有采用正交空间群Pnma的复杂一维（1D）结构，其晶胞参数a = 37.964（8）Å，b = 4.4090（9）Å，c = 24.682（ 5）Å。它由被Ba 2+原子隔开的大双Sn-Sb带组成。Ba 3 Sn 3 Sb 4是一种n型半导体，其能隙约为0.18 eV，室温载流子浓度约为4.2×1018厘米–3。Ba 6.6 Sn 11 Sb 14.4被确定为以电子为主要载流子的金属。
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