// Persistence of Vision Ray Tracer Scene Description File // File: ybco.pov // Vers: 1.0 // Desc: YBa2Cu3O7 unit cell // Date: 04/26/98 // Auth: Stefan Krey // Institute of Applied Physics // University of Hamburg // email: sk...kreynet.de // // YBaCuO coordinates: // // N YBa2Cu3O7-Superconductor Capponi (1987) Europhys.Lett.3,1301 // C 3.8128 3.8806 11.6303 90.0000 90.0000 90.0000 // S GRUP P M M M // A Y1 0.5000 0.5000 0.5000 1.0000 1.0000 // A BA1 0.5000 0.5000 0.1826 1.0000 1.0000 // A CU1 0.0000 0.0000 0.0000 1.0000 1.0000 // A CU2 0.0000 0.0000 0.3542 1.0000 1.0000 // A O1 0.0000 0.0000 0.1595 1.0000 1.0000 // A O2 0.5000 0.0000 0.3773 1.0000 1.0000 // A O3 0.0000 0.5000 0.3769 1.0000 1.0000 // A O4 0.0000 0.5000 0.0000 1.0000 1.0000 #version 3 #include "colors.inc" global_settings { assumed_gamma 1.0 } #declare AtomFinish= finish { ambient 0.2 diffuse 0.6 specular 1 roughness 0.01 } #declare yttrium= texture { pigment {Blue} finish {AtomFinish} } #declare barium= texture { pigment {Cyan} finish {AtomFinish} } #declare copper= texture { pigment {Copper} finish {AtomFinish} } #declare oxygen= texture { pigment {Red} finish {AtomFinish} } #declare bonds= texture { pigment{ Gray85 filter 1} finish { ambient 0 diffuse 0 reflection 0.10 refraction 1 ior 1.45 specular 1 roughness 0.01 } } #declare VectorStyle= texture { pigment{Black} finish {phong 1} } // ---------------------------------------- camera { location <0 0 5> up y // right -4/3*x // right -0.736*x right -1.0*x rotate <90,0,0> angle 30 look_at <0 0 0> translate <0.0000, 0.0000, 0.9692> } // Set a color of the background (sky) background { White } // background { Gray80 } light_source { 0*x // light's position (translated below) color red 1.0 green 1.0 blue 1.0 // light's color jitter translate <-10,-10, 10> } # declare YBCO = union { //-------------------------------------------------------------------- //plane { y, -1 pigment {color rgb <0.0,0.0,0.3>}} // create Yttrium sphere { <0.3177 0.3234 0.9692> // center of sphere0.059 // radius of sphere scale <1,1,1> // size of sphere texture{yttrium} // texture } // create Barium sphere { <0.3177 0.3234 0.3539> // center of sphere 0.097 // radius of sphere scale <1,1,1> // size of sphere texture{barium} // texture } sphere { <0.3177 0.3234 1.5844> // center of sphere 0.097 // radius of sphere scale <1,1,1> // size of sphere texture{barium} // texture } //-------------------------------------------------------------------- // bottom CuO chains //-------------------------------------------------------------------- sphere { <0.0000 0.0000 0.0000> // center of sphere 0.043 // radius of sphere scale <1,1,1> // size of sphere texture{copper} // texture } cylinder { <0.0000 0.0000 0.0000>, <0.0000 0.3234 0.0000>, 0.01 texture{bonds} } sphere { <0.0000 0.3234 0.0000> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } cylinder { <0.0000 0.3234 0.0000>, <0.0000 0.6468 0.0000>, 0.01 texture{bonds} } sphere { <0.0000 0.6468 0.0000> // center of sphere 0.043 // radius of sphere scale <1,1,1> // size of sphere texture{copper} // texture } cylinder { <0.0000 0.6468 0.0000>, <0.6355 0.6468 0.0000>, 0.01 texture{bonds} } sphere { <0.6355 0.6468 0.0000> // center of sphere 0.043 // radius of sphere scale <1,1,1> // size of sphere texture{copper} // texture } cylinder { <0.6355 0.6468 0.0000>, <0.6355 0.3234 0.0000>, 0.01 texture{bonds} } sphere { <0.6355 0.3234 0.0000> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } cylinder { <0.6355 0.3234 0.0000>, <0.6355 0.0000 0.0000>, 0.01 texture{bonds} } sphere { <0.6355 0.0000 0.0000> // center of sphere 0.043 // radius of sphere scale <1,1,1> // size of sphere texture{copper} // texture } cylinder { <0.6355 0.0000 0.0000>, <0.0000 0.0000 0.0000>, 0.01 texture{bonds} } //-------------------------------------------------------------------- // bottom CuO plane //-------------------------------------------------------------------- sphere { <0.0000 0.0000 0.6866> // center of sphere 0.043 // radius of sphere scale <1,1,1> // size of sphere texture{copper} // texture } cylinder { <0.0000 0.0000 0.6866>, <0.0000 0.3234 0.7314>, 0.01 texture{bonds} } sphere { <0.0000 0.3234 0.7314> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } cylinder { <0.0000 0.3234 0.7314>, <0.0000 0.6468 0.6866>, 0.01 texture{bonds} } sphere { <0.0000 0.6468 0.6866> // center of sphere 0.043 // radius of sphere scale <1,1,1> // size of sphere texture{copper} // texture } cylinder { <0.0000 0.6468 0.6866>, <0.3177 0.6468 0.7314>, 0.01 texture{bonds} } sphere { <0.3177 0.6468 0.7314> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } cylinder { <0.3177 0.6468 0.7314>, <0.6355 0.6468 0.6866>, 0.01 texture{bonds} } sphere { <0.6355 0.6468 0.6866> // center of sphere 0.043 // radius of sphere scale <1,1,1> // size of sphere texture{copper} // texture } cylinder { <0.6355 0.6468 0.6866>, <0.6355 0.3234 0.7314>, 0.01 texture{bonds} } sphere { <0.6355 0.3234 0.7314> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } cylinder { <0.6355 0.3234 0.7314>, <0.6355 0.0000 0.6866>, 0.01 texture{bonds} } sphere { <0.6355 0.0000 0.6866> // center of sphere 0.043 // radius of sphere scale <1,1,1> // size of sphere texture{copper} // texture } cylinder { <0.6355 0.0000 0.6866>, <0.3177 0.0000 0.7314>, 0.01 texture{bonds} } sphere { <0.3177 0.0000 0.7314> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } cylinder { <0.3177 0.0000 0.7314>, <0.0000 0.0000 0.6866>, 0.01 texture{bonds} } // free bonds (dx=0.3177, dy=0.3234) cylinder { <0.0000, 0.0000, 0.6866>, <-0.3177, 0.0000, 0.7314>, 0.01 texture{bonds} } // -dx cylinder { <0.0000, 0.0000, 0.6866>, < 0.0000, -0.3234, 0.7314>, 0.01 texture{bonds} } // -dy cylinder { <0.0000, 0.6468, 0.6866>, <-0.3177, 0.6468, 0.7314>, 0.01 texture{bonds} } // -dx cylinder { <0.0000, 0.6468, 0.6866>, < 0.0000, 0.9702, 0.7314>, 0.01 texture{bonds} } // +dy cylinder { <0.6355, 0.6468, 0.6866>, < 0.9532, 0.6468, 0.7314>, 0.01 texture{bonds} } // +dx cylinder { <0.6355, 0.6468, 0.6866>, < 0.6355, 0.9702, 0.7314>, 0.01 texture{bonds} } // +dy cylinder { <0.6355, 0.0000, 0.6866>, < 0.9532, 0.0000, 0.7314>, 0.01 texture{bonds} } // +dx cylinder { <0.6355, 0.0000, 0.6866>, < 0.6355, -0.3234, 0.7314>, 0.01 texture{bonds} } // -dy //-------------------------------------------------------------------- // top CuO plane //-------------------------------------------------------------------- sphere { <0.0000 0.0000 1.2518> // center of sphere 0.043 // radius of sphere scale <1,1,1> // size of sphere texture{copper} // texture } cylinder { <0.0000 0.0000 1.2518>, <0.0000 0.3234 1.2070>, 0.01 texture{bonds} } sphere { <0.0000 0.3234 1.2070> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } cylinder { <0.0000 0.3234 1.2070>, <0.0000 0.6468 1.2518>, 0.01 texture{bonds} } sphere { <0.0000 0.6468 1.2518> // center of sphere 0.043 // radius of sphere scale <1,1,1> // size of sphere texture{copper} // texture } cylinder { <0.0000 0.6468 1.2518>, <0.3177 0.6468 1.2070>, 0.01 texture{bonds} } sphere { <0.3177 0.6468 1.2070> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } cylinder { <0.3177 0.6468 1.2070>, <0.6355 0.6468 1.2518>, 0.01 texture{bonds} } sphere { <0.6355 0.6468 1.2518> // center of sphere 0.043 // radius of sphere scale <1,1,1> // size of sphere texture{copper} // texture } cylinder { <0.6355 0.6468 1.2518>, <0.6355 0.3234 1.2070>, 0.01 texture{bonds} } sphere { <0.6355 0.3234 1.2070> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } cylinder { <0.6355 0.3234 1.2070>, <0.6355 0.0000 1.2518>, 0.01 texture{bonds} } sphere { <0.6355 0.0000 1.2518> // center of sphere 0.043 // radius of sphere scale <1,1,1> // size of sphere texture{copper} // texture } cylinder { <0.6355 0.0000 1.2518>, <0.3177 0.0000 1.2070>, 0.01 texture{bonds} } sphere { <0.3177 0.0000 1.2070> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } cylinder { <0.3177 0.0000 1.2070>, <0.0000 0.0000 1.2518>, 0.01 texture{bonds} } // free bonds (dx=0.3177, dy=0.3234) cylinder { <0.0000, 0.0000, 1.2518>, <-0.3177, 0.0000, 1.2070>, 0.01 texture{bonds} } // -dx cylinder { <0.0000, 0.0000, 1.2518>, < 0.0000, -0.3234, 1.2070>, 0.01 texture{bonds} } // -dy cylinder { <0.0000, 0.6468, 1.2518>, <-0.3177, 0.6468, 1.2070>, 0.01 texture{bonds} } // -dx cylinder { <0.0000, 0.6468, 1.2518>, < 0.0000, 0.9702, 1.2070>, 0.01 texture{bonds} } // +dy cylinder { <0.6355, 0.6468, 1.2518>, < 0.9532, 0.6468, 1.2070>, 0.01 texture{bonds} } // +dx cylinder { <0.6355, 0.6468, 1.2518>, < 0.6355, 0.9702, 1.2070>, 0.01 texture{bonds} } // +dy cylinder { <0.6355, 0.0000, 1.2518>, < 0.9532, 0.0000, 1.2070>, 0.01 texture{bonds} } // +dx cylinder { <0.6355, 0.0000, 1.2518>, < 0.6355, -0.3234, 1.2070>, 0.01 texture{bonds} } // -dy //-------------------------------------------------------------------- // top CuO chains //-------------------------------------------------------------------- sphere { <0.0000 0.0000 1.9384> // center of sphere 0.043 // radius of sphere scale <1,1,1> // size of sphere texture{copper} // texture } cylinder { <0.0000 0.0000 1.9384>, <0.0000 0.3234 1.9384>, 0.01 texture{bonds} } sphere { <0.0000 0.3234 1.9384> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } cylinder { <0.0000 0.3234 1.9384>, <0.0000 0.6468 1.9384>, 0.01 texture{bonds} } sphere { <0.0000 0.6468 1.9384> // center of sphere 0.043 // radius of sphere scale <1,1,1> // size of sphere texture{copper} // texture } cylinder { <0.0000 0.6468 1.9384>, <0.6355 0.6468 1.9384>, 0.01 texture{bonds} } sphere { <0.6355 0.6468 1.9384> // center of sphere 0.043 // radius of sphere scale <1,1,1> // size of sphere texture{copper} // texture } cylinder { <0.6355 0.6468 1.9384>, <0.6355 0.3234 1.9384>, 0.01 texture{bonds} } sphere { <0.6355 0.3234 1.9384> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } cylinder { <0.6355 0.3234 1.9384>, <0.6355 0.0000 1.9384>, 0.01 texture{bonds} } sphere { <0.6355 0.0000 1.9384> // center of sphere 0.043 // radius of sphere scale <1,1,1> // size of sphere texture{copper} // texture } cylinder { <0.6355 0.0000 1.9384>, <0.0000 0.0000 1.9384>, 0.01 texture{bonds} } //-------------------------------------------------------------------- // BaO-1 layer //-------------------------------------------------------------------- // create Oxygen sphere { <0.0000 0.0000 0.3092> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } sphere { <0.0000 0.6468 0.3092> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } sphere { <0.6355 0.6468 0.3092> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } sphere { <0.6355 0.0000 0.3092> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } //-------------------------------------------------------------------- // BaO-2 layer //-------------------------------------------------------------------- sphere { <0.0000 0.0000 1.6292> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } sphere { <0.0000 0.6468 1.6292> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } sphere { <0.6355 0.6468 1.6292> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } sphere { <0.6355 0.0000 1.6292> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } //-------------------------------------------------------------------- // Vertical bonds <0 0 Z> //-------------------------------------------------------------------- cylinder { <0.0000 0.0000 0.0000>, <0.0000 0.0000 0.3092>, 0.01 texture{bonds} } cylinder { <0.0000 0.0000 0.3092>, <0.0000 0.0000 0.6866>, 0.01 texture{bonds} } cylinder { <0.0000 0.0000 0.6866>, <0.0000 0.0000 1.2518>, 0.005 texture{bonds} } cylinder { <0.0000 0.0000 1.2518>, <0.0000 0.0000 1.6292>, 0.01 texture{bonds} } cylinder { <0.0000 0.0000 1.6292>, <0.0000 0.0000 1.9384>, 0.01 texture{bonds} } //-------------------------------------------------------------------- // Vertical bonds <0 0.6468 Z> //-------------------------------------------------------------------- cylinder { <0.0000 0.6468 0.0000>, <0.0000 0.6468 0.3092>, 0.01 texture{bonds} } cylinder { <0.0000 0.6468 0.3092>, <0.0000 0.6468 0.6866>, 0.01 texture{bonds} } cylinder { <0.0000 0.6468 0.6866>, <0.0000 0.6468 1.2518>, 0.005 texture{bonds} } cylinder { <0.0000 0.6468 1.2518>, <0.0000 0.6468 1.6292>, 0.01 texture{bonds} } cylinder { <0.0000 0.6468 1.6292>, <0.0000 0.6468 1.9384>, 0.01 texture{bonds} } //-------------------------------------------------------------------- // Vertical bonds <0.6355 0.6468 Z> //-------------------------------------------------------------------- cylinder { <0.6355 0.6468 0.0000>, <0.6355 0.6468 0.3092>, 0.01 texture{bonds} } cylinder { <0.6355 0.6468 0.3092>, <0.6355 0.6468 0.6866>, 0.01 texture{bonds} } cylinder { <0.6355 0.6468 0.6866>, <0.6355 0.6468 1.2518>, 0.005 texture{bonds} } cylinder { <0.6355 0.6468 1.2518>, <0.6355 0.6468 1.6292>, 0.01 texture{bonds} } cylinder { <0.6355 0.6468 1.6292>, <0.6355 0.6468 1.9384>, 0.01 texture{bonds} } //-------------------------------------------------------------------- // Vertical bonds <0.6355 0 Z> //-------------------------------------------------------------------- cylinder { <0.6355 0.0000 0.0000>, <0.6355 0.0000 0.3092>, 0.01 texture{bonds} } cylinder { <0.6355 0.0000 0.3092>, <0.6355 0.0000 0.6866>, 0.01 texture{bonds} } cylinder { <0.6355 0.0000 0.6866>, <0.6355 0.0000 1.2518>, 0.005 texture{bonds} } cylinder { <0.6355 0.0000 1.2518>, <0.6355 0.0000 1.6292>, 0.01 texture{bonds} } cylinder { <0.6355 0.0000 1.6292>, <0.6355 0.0000 1.9384>, 0.01 texture{bonds} } } // union YBCO //----------------------------------------------------------------------------------- # declare Vectors = union { cylinder { <0.0, 0.0, 0.0>, <0.2, 0.0, 0.0>, 0.005 texture{VectorStyle} } cone { <0.2, 0.0, 0.0>, 0.02, <0.3, 0.0, 0.0>, 0.0 } text { ttf "CRYSTAL.TTF" "a" 0.0001, 0 pigment {Black} translate <-0.25, 0, 0> rotate 90*x rotate -360*clock*z scale 0.12 translate <0.25, 0.0, 0.05> } cylinder { <0.0, 0.0, 0.0>, <0.0, 0.2, 0.0>, 0.005 texture{VectorStyle} } cone { <0.0, 0.2, 0.0>, 0.02, <0.0, 0.3, 0.0>, 0.0 } text { ttf "CRYSTAL.TTF" "b" 0.0001, 0 pigment {Black} translate <-0.25, 0, 0> rotate 90*x rotate -360*clock*z scale 0.12 translate <0.0, 0.25, 0.05>} cylinder { <0.0, 0.0, 0.0>, <0.0, 0.0, 0.2>, 0.005 texture{VectorStyle} } cone { <0.0, 0.0, 0.2>, 0.02, <0.0, 0.0, 0.3>, 0.0 } text { ttf "CRYSTAL.TTF" "c" 0.0001, 0 pigment {Black} translate <-0.25, 0, 0> rotate 90*x rotate -360*clock*z scale 0.12 translate <0.0, 0.0, 0.35> } } // union Vectors //----------------------------------------------------------------------------------- # declare Legend = union { sphere { <0.0000 0.0000 1.6000> // center of sphere 0.097 // radius of sphere scale <1,1,1> // size of sphere texture{barium} // texture } text { ttf "CRYSTAL.TTF" "Ba" 0.0001, 0 pigment {Black} translate <-0.5, 0, 0> rotate 90*x scale 0.14 translate <0.2000, 0.0000, 1.6000 - 0.04> } sphere { <0.0000 0.0000 1.3000> // center of sphere 0.079 // radius of sphere scale <1,1,1> // size of sphere texture{oxygen} // texture } text { ttf "CRYSTAL.TTF" "O" 0.0001, 0 pigment {Black} translate <-0.5, 0, 0> rotate 90*x scale 0.14 translate <0.2000, 0.0000, 1.3000 - 0.04> } sphere { <0.0000 0.0000 1.0000> // center of sphere 0.059 // radius of sphere scale <1,1,1> // size of sphere texture{yttrium} // texture } text { ttf "CRYSTAL.TTF" "Y" 0.0001, 0 pigment {Black} translate <-0.5, 0, 0> rotate 90*x scale 0.14 translate <0.2000, 0.0000, 1.0000 - 0.04> } sphere { <0.0000 0.0000 0.7000> // center of sphere 0.043 // radius of sphere scale <1,1,1> // size of sphere texture{copper} // texture } text { ttf "CRYSTAL.TTF" "Cu" 0.0001, 0 pigment {Black} translate <-0.5, 0, 0> rotate 90*x scale 0.14 translate <0.2000, 0.0000, 0.7000 - 0.04> } } // union Legend //----------------------------------------------------------------------------------- object { YBCO translate <-0.3177, -0.3234, 0.0000> rotate 360*clock*z translate <-0.4, 0, 0> // center picture } object { Vectors rotate 360*clock*z translate < 1.2000, 0.0000, 0.0000> translate <-0.4, 0, 0> // center picture } object { Legend translate < 1.2000, 0.0000, 0.0000> translate < 0.0000, 0.3234, 0.0000> translate <-0.4, 0, 0> // center picture } // have fun!!