论文标题
化学掺杂的散装AGF2中的缺陷陷阱和相位分离
Defect trapping and phase separation in chemically doped bulk AgF2
论文作者
论文摘要
我们报告了银（II）氟化物（氧化剂类似物）化学掺杂的计算调查。我们发现，基态溶液表现出强烈的缺陷定位和相分离的趋势。额外的电子状态是强烈局部的，所得的掺杂相具有绝缘特性。我们的结果以及实验尝试的先前见解表明，化学掺杂可能不是散装银（II）氟化物中高温超导性的可行方法。
We report a computational survey of chemical doping of silver(II) fluoride, an oxocuprate analog. We find that the ground-state solutions exhibit strong tendency for localization of defects and for phase separation. The additional electronic states are strongly localized and the resulting doped phases exhibit insulating properties. Our results, together with previous insight from experimental attempts, indicate that chemical doping may not be a feasible way towards high-temperature superconductivity in bulk silver(II) fluoride.
