Enhancing the three-dimensional electronic structure in 1111-type iron arsenide superconductors by H substitution
Enhancing the three-dimensional electronic structure in 1111-type iron arsenide superconductors by H substitution
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DOI：
10.1103/physrevb.89.094501
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发表时间：
2013-12
影响因子：
3.7
通讯作者：
Y. Muraba;S. Matsuishi;H. Hosono
中科院分区：
文献类型：
--
作者：
Y. Muraba;S. Matsuishi;H. Hosono
采用高压固相反应法合成了1111型铁砷氢化物CaFe 1-xCoxAsH，并对其电子结构和超导性能进行了研究。在x = 0.07-0.26处观察到体超导电性。在x = 0.07处观察到最大超导临界温度Tcmax为23 K。这些值与CaFe_（1-x）CoxAsF的值一致。计算得到的CaFeAsH的费米面在Gamma点附近有一个小的三维空穴。这是As 4p和H 1 s轨道之间弱共价键的结果。CaFeAsF中不存在这样的共价性，因为F 2 p轨道的能级足够深，可以抑制与As 4p轨道的重叠。在嵌套方案下解释了CaFe_（1-x）CoxAsH和CaFe_（1-x）CoxAsF的相似超导性质。CaFe 1-xCoxAsH的小的3D空穴袋对电子激发没有显著贡献。这些发现鼓励探索含氢的1111型铁基材料，具有较低的各向异性和较高的Tc适用于超导线材和带材。
The 1111-type iron arsenide hydride CaFe1-xCoxAsH was synthesized by high-pressure solid-state reaction, and its electronic structure and superconducting properties were investigated. Bulk superconductivity was observed at x = 0.07-0.26. A maximum superconducting critical temperature Tcmax of 23 K was observed at x = 0.07. These values are in agreement with those of CaFe1-xCoxAsF. The calculated Fermi surface of CaFeAsH has a small three-dimensional 3D hole pocket around the Gamma point. This is a result of weak covalent bonding between the As 4p and H 1s orbitals. No such covalency exists in CaFeAsF, because the energy level of the F 2p orbital is sufficiently deep to inhibit overlap with the As 4p orbital. The similar superconducting properties of CaFe1-xCoxAsH and CaFe1-xCoxAsF are explained on the nesting scenario. The small 3D hole pocket of CaFe1-xCoxAsH does not significantly contribute to electron excitation. These findings encourage exploration of hydrogen-containing 1111-type iron-based materials with lower anisotropies and higher Tc applicable to superconducting wires and tapes.