Hydrogen-induced insulating state accompanied by inter-layer charge ordering ...

The effect of hydrogen doping on the crystal structure and the electronic state in SmNiO₃ is investigated by means of density-functional theory with a combinatorial...本研究借助结合组合[原文未完整给出后续内容]的密度泛函理论（density-functional theory），探究了氢掺杂对钐镍氧化物（SmNiO₃）的晶体结构与电子态所产生的影响。