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Epitaxial Stabilization of SrCu3O4 with Infinite Cu3/2O2 Layers.
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2020-07-08 , DOI: 10.1021/acs.inorgchem.0c01213 Hiroshi Takatsu 1 , Masayuki Ochi 2 , Naoya Yamashina 1 , Morito Namba 1 , Kazuhiko Kuroki 2 , Takahito Terashima 3 , Hiroshi Kageyama 1
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2020-07-08 , DOI: 10.1021/acs.inorgchem.0c01213 Hiroshi Takatsu 1 , Masayuki Ochi 2 , Naoya Yamashina 1 , Morito Namba 1 , Kazuhiko Kuroki 2 , Takahito Terashima 3 , Hiroshi Kageyama 1
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We report the epitaxial thin-film synthesis of SrCu3O4 with infinitely stacked Cu3O4 layers composed of edge-sharing CuO4 square planes, using molecular-beam epitaxy. Experimental and theoretical characterizations showed that this material is a metastable phase that can exist by applying tensile biaxial strain from the (001)-SrTiO3 substrate. SrCu3O4 shows an insulating electrical resistivity in accordance with the Cu2+ valence state revealed by X-ray photoelectron spectroscopy. First-principles calculations also indicated that the unoccupied d3z2–r2 band becomes substantially stabilized owing to the absence of apical anions, in contrast to A2Cu3O4Cl2 (A = Sr, Ba) with an A2Cl2 block layer and therefore a trans-CuO4Cl2 octahedron. These results suggest that SrCu3O4 is a suitable parent material for electron-doped superconductivity based on the Cu3O4 plane.
中文翻译：
具有无限Cu3 / 2O2层的SrCu3O4的外延稳定化。
我们报告使用分子束外延外延薄膜合成的SrCu 3 O 4与无限堆叠的Cu 3 O 4层组成的边缘共享的CuO 4方形平面。实验和理论表征表明，该材料是亚稳相，可以通过从（001）-SrTiO 3衬底施加拉伸双轴应变来存在。SrCu 3 O 4表现出根据X射线光电子能谱显示的Cu 2+价态的绝缘电阻率。第一性原理计算还表明，空置的d 3 z 2 –与带有A 2 Cl 2阻隔层的A 2 Cu 3 O 4 Cl 2（A = Sr，Ba）相比， r 2带由于没有顶端阴离子而变得基本稳定，因此具有反式-CuO 4 Cl 2八面体。这些结果表明，SrCu 3 O 4是基于Cu 3 O 4平面的电子掺杂超导性的合适母体材料。
更新日期：2020-07-20
中文翻译：
具有无限Cu3 / 2O2层的SrCu3O4的外延稳定化。
我们报告使用分子束外延外延薄膜合成的SrCu 3 O 4与无限堆叠的Cu 3 O 4层组成的边缘共享的CuO 4方形平面。实验和理论表征表明，该材料是亚稳相，可以通过从（001）-SrTiO 3衬底施加拉伸双轴应变来存在。SrCu 3 O 4表现出根据X射线光电子能谱显示的Cu 2+价态的绝缘电阻率。第一性原理计算还表明，空置的d 3 z 2 –与带有A 2 Cl 2阻隔层的A 2 Cu 3 O 4 Cl 2（A = Sr，Ba）相比， r 2带由于没有顶端阴离子而变得基本稳定，因此具有反式-CuO 4 Cl 2八面体。这些结果表明，SrCu 3 O 4是基于Cu 3 O 4平面的电子掺杂超导性的合适母体材料。
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