简约布里渊区形状及特殊K点坐标(共4页).doc

精选优质文档-倾情为你奉上能带计算必备：简约布里渊区形状及特殊K点坐标，直观体现出空间构型高对称点：Point Cartesian coordinates Reciprocal coordinates(units of 2pi/a) (units of b1,b2,b3)-G ( 0 0 0 ) ( 0 0 0 ) X ( 0 0 1 ) ( 1/2 1/2 0 )W ( 1/2 0 1 ) ( 1/2 3/4 1/4 )K ( 3/4 3/4 0 ) ( 3/8 3/8 3/4 )L ( 1/2 1/2 1/2 ) ( 1/2 1/2 1/2 )Symbol Description Center of the Brillouin zo