《简约布里渊区形状及特殊K点坐标》由会员分享，可在线阅读，更多相关《简约布里渊区形状及特殊K点坐标（4页珍藏版）》请在金锄头文库上搜索。
1、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 (0.5, 0.5,0.5)W (0.5, 0.25, 0.75)X (0.5, 0.0,0.5)U (0.625,0.25,0.625)G (0.
2、0, 0.0,0.0)K (0.75,0.375,0.375)FCC晶賂的管约布呈潔区N (0.0,0.0,0.5)G (0.0,0.0,0.0)P (0.25, 0.25, 0.25) BCC昂菸的管约布呈渊区H (0.5,-0.5, 0.5),X (0.0,0.5,0.0)M (05 05 0.0)G (0.0,0.0,0.0)R (0.5,0.5,0.5)SC晶格的简约布里渊区H (-1/3,2/3,1/2)G(OOO)K(-1/3,2/3,0)A(00 05)M(0,1/2,0) L (0.0.5,0.5)X (0.5, 0, 0)G (0, O 0)Z (0, 0, 0.5)R (0
3、.5, 0.5, 0.5)T (0, 0.5f 0.5)Y (0, 05 0)S (0.5, 0.5 0)正交昂洛Symbol DescriptionrCenter of the Brillouin zoneSimple cubeMCenter of an edgeRCorner pointXCenter of a faceFace-centered cubicKMiddle of an edge joining two hexagonal facesLCenter of a hexagonal faceUMiddle of an edge joining a hexagonal anda s
4、quare faceWCorner pointXCenter of a square faceBody-centered cubicHCorner point joining four edgesNCenter of a facePCorner point joining three edgesHexagonalACenter of a hexagonal faceHCorner pointKMiddle of an edge joining two rectangular facesLMiddle of an edge joining a hexagonal anda rectangular faceMCenter of a rectangular face
