化学
超导电性
三元运算
碱金属
碱土金属
金属
过渡金属
联轴节(管道)
离子
化学稳定性
结晶学
无机化学
凝聚态物理
冶金
有机化学
材料科学
催化作用
物理
程序设计语言
计算机科学
作者
Martin Rahm,Roald Hoffmann,N. W. Ashcroft
摘要
In a search for gold hydrides, an initial discouraging result of no theoretical stability in any binary AuHn at P < 300 GPa was overcome by introducing alkali atoms as reductants. A set of AAuH2 compounds, A = Li, Na, K, Rb, and Cs, is examined; of these, certain K, Rb, and Cs compounds are predicted to be thermodynamically stable. All contain AuH2– molecular units and are semiconducting at P = 1 atm, and some form metallic and superconducting symmetrically bonded AuHAu sheets under compression. To induce metallicity by bringing the Au atoms closer together under ambient conditions, we examined alkaline earth ion substitution for two A, i.e., materials of composition AE(AuH2)2. For AE = Ba and Sr, the materials are already marginally metallic at P = 1 atm and the combination of high and low phonon frequencies and good electron–phonon coupling leads to reasonably high calculated superconducting transition temperatures for these materials.
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