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Mott–Bethe formula

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503: 156: 498:{\displaystyle f_{\text{e}}(q,Z)={\frac {me^{2}}{32\pi ^{3}\hbar ^{2}\epsilon _{0}}}{\Bigg (}{\frac {Z-f_{x}(q,Z)}{q^{2}}}{\Bigg )}={\frac {1}{8\pi ^{2}a_{0}}}{\Bigg (}{\frac {Z-f_{x}(q,Z)}{q^{2}}}{\Bigg )}\approx (0.2393~{\textrm {nm}}^{-1})\cdot {\Bigg (}{\frac {Z-f_{x}(q,Z)}{q^{2}}}{\Bigg )}} 890:
The Mott–Bethe formula was originally derived for free atoms, and is rigorously true provided the X-ray scattering form factor is known exactly. However, in solids, the accuracy of the Mott–Bethe formula is best for large values of
809:, which is usually presented in dimensionless units. To perform a one-to-one comparison between the electron and X-ray form factors in the same units, the X-ray form factor should be multiplied by the square root of the 854: 1017: 762: 78: 609: 881: 807: 717: 124: 935: 578: 671: 640: 975: 955: 909: 554: 526: 1087:"An accurate parameterization for scattering factors, electron densities and electrostatic potentials for neutral atoms that obey all physical constraints" 957:(i.e. long distances) can deviate from the atomic distribution of electrons due the chemical bonds between atoms in a solid. For smaller values of 1019:
can be determined from tabulated values, such as those in the International Tables for Crystallography using (non)relativistic
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for the charge density of an atom (including both the nucleus and electron cloud) in the Fourier domain. Following the first
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Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character
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calculations, or other numerical parameterizations of the calculated charge distribution of atoms.
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Cowley, J. M. (2006). "Electron diffraction and electron microscopy in structure determination".
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is the dimensionless X-ray scattering form factor for the electron density.
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has units of length, as is typical for the scattering factor, unlike the
674: 1208:"Zur Theorie des Durchgangs schneller Korpuskularstrahlen durch Materie" 127: 1252: 937:Å) because the distribution of the charge density at smaller 1162:
Mott, Nevill Francis; Bragg, William Lawrence (1930-06-02).
983: 963: 943: 917: 897: 862: 818: 773: 728: 683: 652: 621: 590: 566: 542: 514: 159: 90: 44: 134:both in 1930, and simply follows from applying the 1254: 1011: 969: 949: 929: 903: 875: 849:{\displaystyle {\sqrt {\sigma _{T}}}=r_{\text{e}}} 848: 801: 756: 711: 665: 634: 603: 572: 548: 520: 497: 118: 72: 490: 436: 394: 340: 298: 244: 1280: 1253:L. M. Peng; S. L. Dudarev; M. J. Whalen (2004). 1257:High-Energy Electron Diffraction and Microscopy 1084: 528:is the magnitude of the scattering vector of 31:is an approximation used to calculate atomic 126:. The formula was derived independently by 887:, to convert it back to a unit of length. 1261:. New York, NY: Oxford University Press. 1187: 1161: 1136:Advanced Computing in Electron Microscopy 1110: 1133: 1045:International Tables for Crystallography 138:for the scattering of electrons via the 1085:Lobato, I.; Van Dyck, D. (2014-11-01). 14: 1281: 1164:"The scattering of electrons by atoms" 1042: 1205: 1201: 1199: 1157: 1155: 1080: 1078: 1076: 1038: 1036: 1134:Kirkland, Earl J. (17 April 2013). 24: 25: 1305: 1196: 1152: 1073: 1033: 1012:{\displaystyle f_{\text{e}}(q,Z)} 757:{\displaystyle f_{\text{e}}(q,Z)} 73:{\displaystyle f_{\text{e}}(q,Z)} 1091:Acta Crystallographica Section A 536:(in units of inverse distance), 722:The electron scattering factor 530:momentum-transfer cross section 1246: 1127: 1006: 994: 796: 784: 751: 739: 706: 694: 472: 460: 428: 402: 376: 364: 280: 268: 182: 170: 113: 101: 67: 55: 13: 1: 1026: 604:{\displaystyle \epsilon _{0}} 1057:10.1107/97809553602060000558 876:{\displaystyle r_{\text{e}}} 7: 10: 1310: 802:{\displaystyle f_{x}(q,Z)} 712:{\displaystyle f_{x}(q,Z)} 119:{\displaystyle f_{x}(q,Z)} 1112:10067/1221030151162165141 1103:10.1107/S205327331401643X 885:classical electron radius 1232:10.1002/andp.19303970303 930:{\displaystyle q>0.5} 136:first Born approximation 1189:10.1098/rspa.1930.0082 1013: 971: 951: 931: 905: 877: 850: 803: 758: 713: 667: 636: 605: 574: 573:{\displaystyle \hbar } 550: 522: 499: 120: 74: 1014: 972: 952: 932: 906: 878: 851: 811:Thomson cross section 804: 759: 714: 668: 666:{\displaystyle a_{0}} 642:is the electron rest 637: 635:{\displaystyle m_{0}} 606: 575: 551: 523: 500: 121: 75: 981: 961: 941: 915: 895: 860: 816: 771: 726: 681: 650: 619: 588: 564: 540: 512: 157: 88: 42: 1224:1930AnP...397..325B 1180:1930RSPSA.127..658M 613:vacuum permittivity 140:Coulomb interaction 33:electron scattering 1212:Annalen der Physik 1206:Bethe, H. (1930). 1009: 967: 947: 927: 901: 873: 846: 799: 754: 709: 663: 632: 601: 570: 546: 518: 495: 148:Born approximation 142:together with the 116: 70: 29:Mott–Bethe formula 18:Mott-Bethe formula 1294:Scattering theory 1268:978-0-19-850074-2 1145:978-1-4757-4406-4 1066:978-0-7923-6592-1 991: 970:{\displaystyle q} 950:{\displaystyle q} 904:{\displaystyle q} 870: 843: 831: 766:X-ray form factor 736: 549:{\displaystyle Z} 521:{\displaystyle q} 486: 416: 410: 390: 336: 294: 240: 167: 52: 16:(Redirected from 1301: 1273: 1272: 1260: 1250: 1244: 1243: 1203: 1194: 1193: 1191: 1174:(806): 658–665. 1159: 1150: 1149: 1131: 1125: 1124: 1114: 1082: 1071: 1070: 1040: 1018: 1016: 1015: 1010: 993: 992: 989: 976: 974: 973: 968: 956: 954: 953: 948: 936: 934: 933: 928: 910: 908: 907: 902: 882: 880: 879: 874: 872: 871: 868: 855: 853: 852: 847: 845: 844: 841: 832: 830: 829: 820: 808: 806: 805: 800: 783: 782: 763: 761: 760: 755: 738: 737: 734: 718: 716: 715: 710: 693: 692: 672: 670: 669: 664: 662: 661: 641: 639: 638: 633: 631: 630: 610: 608: 607: 602: 600: 599: 579: 577: 576: 571: 555: 553: 552: 547: 534:reciprocal space 527: 525: 524: 519: 504: 502: 501: 496: 494: 493: 487: 485: 484: 475: 459: 458: 442: 440: 439: 427: 426: 418: 417: 414: 408: 398: 397: 391: 389: 388: 379: 363: 362: 346: 344: 343: 337: 335: 334: 333: 324: 323: 307: 302: 301: 295: 293: 292: 283: 267: 266: 250: 248: 247: 241: 239: 238: 237: 228: 227: 218: 217: 204: 203: 202: 189: 169: 168: 165: 144:Poisson equation 125: 123: 122: 117: 100: 99: 82:X-ray scattering 79: 77: 76: 71: 54: 53: 50: 21: 1309: 1308: 1304: 1303: 1302: 1300: 1299: 1298: 1279: 1278: 1277: 1276: 1269: 1251: 1247: 1204: 1197: 1160: 1153: 1146: 1132: 1128: 1083: 1074: 1067: 1041: 1034: 1029: 988: 984: 982: 979: 978: 962: 959: 958: 942: 939: 938: 916: 913: 912: 896: 893: 892: 867: 863: 861: 858: 857: 840: 836: 825: 821: 819: 817: 814: 813: 778: 774: 772: 769: 768: 733: 729: 727: 724: 723: 688: 684: 682: 679: 678: 657: 653: 651: 648: 647: 626: 622: 620: 617: 616: 595: 591: 589: 586: 585: 582:Planck constant 565: 562: 561: 541: 538: 537: 513: 510: 509: 489: 488: 480: 476: 454: 450: 443: 441: 435: 434: 419: 413: 412: 411: 393: 392: 384: 380: 358: 354: 347: 345: 339: 338: 329: 325: 319: 315: 311: 306: 297: 296: 288: 284: 262: 258: 251: 249: 243: 242: 233: 229: 223: 219: 213: 209: 205: 198: 194: 190: 188: 164: 160: 158: 155: 154: 95: 91: 89: 86: 85: 49: 45: 43: 40: 39: 23: 22: 15: 12: 11: 5: 1307: 1297: 1296: 1291: 1289:Atomic physics 1275: 1274: 1267: 1245: 1218:(3): 325–400. 1195: 1151: 1144: 1126: 1097:(6): 636–649. 1072: 1065: 1031: 1030: 1028: 1025: 1008: 1005: 1002: 999: 996: 987: 966: 946: 926: 923: 920: 900: 866: 839: 835: 828: 824: 798: 795: 792: 789: 786: 781: 777: 753: 750: 747: 744: 741: 732: 708: 705: 702: 699: 696: 691: 687: 660: 656: 629: 625: 598: 594: 569: 545: 517: 506: 505: 492: 483: 479: 474: 471: 468: 465: 462: 457: 453: 449: 446: 438: 433: 430: 425: 422: 407: 404: 401: 396: 387: 383: 378: 375: 372: 369: 366: 361: 357: 353: 350: 342: 332: 328: 322: 318: 314: 310: 305: 300: 291: 287: 282: 279: 276: 273: 270: 265: 261: 257: 254: 246: 236: 232: 226: 222: 216: 212: 208: 201: 197: 193: 187: 184: 181: 178: 175: 172: 163: 115: 112: 109: 106: 103: 98: 94: 84:form factors, 80:, from atomic 69: 66: 63: 60: 57: 48: 9: 6: 4: 3: 2: 1306: 1295: 1292: 1290: 1287: 1286: 1284: 1270: 1264: 1259: 1258: 1249: 1241: 1237: 1233: 1229: 1225: 1221: 1217: 1213: 1209: 1202: 1200: 1190: 1185: 1181: 1177: 1173: 1169: 1165: 1158: 1156: 1147: 1141: 1137: 1130: 1122: 1118: 1113: 1108: 1104: 1100: 1096: 1092: 1088: 1081: 1079: 1077: 1068: 1062: 1058: 1054: 1050: 1046: 1039: 1037: 1032: 1024: 1022: 1003: 1000: 997: 985: 964: 944: 924: 921: 918: 898: 888: 886: 864: 837: 833: 826: 822: 812: 793: 790: 787: 779: 775: 767: 748: 745: 742: 730: 720: 703: 700: 697: 689: 685: 676: 658: 654: 645: 627: 623: 614: 596: 592: 583: 567: 560:of the atom, 559: 558:atomic number 543: 535: 531: 515: 481: 477: 469: 466: 463: 455: 451: 447: 444: 431: 423: 420: 405: 399: 385: 381: 373: 370: 367: 359: 355: 351: 348: 330: 326: 320: 316: 312: 308: 303: 289: 285: 277: 274: 271: 263: 259: 255: 252: 234: 230: 224: 220: 214: 210: 206: 199: 195: 191: 185: 179: 176: 173: 161: 153: 152: 151: 149: 145: 141: 137: 133: 129: 110: 107: 104: 96: 92: 83: 64: 61: 58: 46: 37: 34: 30: 19: 1256: 1248: 1215: 1211: 1171: 1167: 1138:. Springer. 1135: 1129: 1094: 1090: 1048: 1044: 1021:Hartree–Fock 889: 721: 507: 132:Neville Mott 36:form factors 28: 26: 1051:: 276–345. 675:Bohr Radius 1283:Categories 1027:References 128:Hans Bethe 1240:1521-3889 1121:2053-2733 823:σ 593:ϵ 568:ℏ 448:− 432:⋅ 421:− 400:≈ 352:− 317:π 256:− 231:ϵ 221:ℏ 211:π 856:, where 1220:Bibcode 1176:Bibcode 883:is the 673:is the 611:is the 580:is the 1265:  1238:  1142:  1119:  1063:  677:, and 615:, and 508:Here, 409:  406:0.2393 1263:ISBN 1236:ISSN 1140:ISBN 1117:ISSN 1061:ISBN 922:> 644:mass 556:the 130:and 27:The 1228:doi 1216:397 1184:doi 1172:127 1107:hdl 1099:doi 1053:doi 925:0.5 532:in 1285:: 1234:. 1226:. 1214:. 1210:. 1198:^ 1182:. 1170:. 1166:. 1154:^ 1115:. 1105:. 1095:70 1093:. 1089:. 1075:^ 1059:. 1047:. 1035:^ 977:, 646:, 584:, 415:nm 207:32 150:, 38:, 1271:. 1242:. 1230:: 1222:: 1192:. 1186:: 1178:: 1148:. 1123:. 1109:: 1101:: 1069:. 1055:: 1049:B 1007:) 1004:Z 1001:, 998:q 995:( 990:e 986:f 965:q 945:q 919:q 911:( 899:q 869:e 865:r 842:e 838:r 834:= 827:T 797:) 794:Z 791:, 788:q 785:( 780:x 776:f 752:) 749:Z 746:, 743:q 740:( 735:e 731:f 707:) 704:Z 701:, 698:q 695:( 690:x 686:f 659:0 655:a 628:0 624:m 597:0 544:Z 516:q 491:) 482:2 478:q 473:) 470:Z 467:, 464:q 461:( 456:x 452:f 445:Z 437:( 429:) 424:1 403:( 395:) 386:2 382:q 377:) 374:Z 371:, 368:q 365:( 360:x 356:f 349:Z 341:( 331:0 327:a 321:2 313:8 309:1 304:= 299:) 290:2 286:q 281:) 278:Z 275:, 272:q 269:( 264:x 260:f 253:Z 245:( 235:0 225:2 215:3 200:2 196:e 192:m 186:= 183:) 180:Z 177:, 174:q 171:( 166:e 162:f 114:) 111:Z 108:, 105:q 102:( 97:x 93:f 68:) 65:Z 62:, 59:q 56:( 51:e 47:f 20:)

Index

Mott-Bethe formula
electron scattering
form factors
X-ray scattering
Hans Bethe
Neville Mott
first Born approximation
Coulomb interaction
Poisson equation
Born approximation
momentum-transfer cross section
reciprocal space
atomic number
Planck constant
vacuum permittivity
mass
Bohr Radius
X-ray form factor
Thomson cross section
classical electron radius
Hartree–Fock


doi
10.1107/97809553602060000558
ISBN
978-0-7923-6592-1


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