A firstprinciples study of the structural properties of jadeite at high pressure

高压下硬玉结构性质的第一性原理研究，樊孝玉，吴秀玲，Thestructuralpropertiesofjadeiteareinvestigatedusingplane-wavepseudopotentialdensityfunctionaltheorymethod.Asafunctionofpressure,themonocliniccellparametersw