1s2p RIXS Calculations for 3d Transition Metal Ions in Octahedral Symmetry

<div>Calculated 1s2p RIXS spectrum for <svg height="11.6412pt" id="M647" style="vertical-align:-0.04979992pt" version="1.1" viewbox="-0.0498162 -11.5914 21.9663 11.6412" width="21.9663pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><path d="M592 498C586 556 582 629 581 675H560C545 656 537 650 510 650H115C87 650 74 652 60 675H40C38 620 33 555 28 495H57C69 539 77 568 89 585C102 607 122 616 205 616H267V123C267 44 259 34 168 28V0H454V28C360 34 352 44 352 123V616H422C498 616 514 608 531 584C542 568 552 543 562 495L592 498Z" id="g121-82"></path></g><g transform="matrix(.013,0,0,-0.013,7.812,0)"><path d="M135 536C164 536 186 560 186 587C186 617 164 639 136 639C109 639 85 617 85 587C85 560 109 536 135 536ZM252 0V26C188 32 181 38 181 106V451C138 433 90 420 39 412V388C99 379 102 374 102 312V106C102 38 95 32 32 26V0H252Z" id="g121-103"></path></g><g transform="matrix(.0091,0,0,-0.0091,11.339,-5.741)"><path d="M290 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The stick spectrum at the bottom illustrates the distribution of the three final state terms <span class="nowrap"><svg height="13.0675pt" id="M650" style="vertical-align:-4.67952pt" version="1.1" viewbox="-0.0498162 -8.38798 25.8666 13.0675" width="25.8666pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><path d="M517 162C503 123 484 88 467 68C445 42 417 34 341 34C291 34 256 34 237 47C219 59 213 81 213 128V317H308C395 317 402 311 415 240H444V431H415C403 364 398 356 307 356H213V584C213 613 215 616 246 616H322C394 616 421 609 435 587C448 566 458 544 467 502L496 506C493 557 488 625 488 650H42V622C120 616 128 612 128 523V125C128 43 120 35 29 28V0H511C520 31 540 125 546 158L517 162Z" id="g121-67"></path></g><g transform="matrix(.0091,0,0,-0.0091,7.384,3.132)"><path d="M389 0V32C297 38 291 46 291 118V635C234 613 175 595 109 583V556L161 554C203 552 207 547 207 497V118C207 46 201 38 110 32V0H389Z" id="g50-50"></path></g><g transform="matrix(.0091,0,0,-0.0091,11.816,3.132)"><path d="M381 704H317L48 -163H112L381 704Z" id="g50-48"></path></g><g transform="matrix(.0091,0,0,-0.0091,15.723,3.132)"><path d="M414 144C384 79 371 75 317 75H135L276 221C367 316 408 376 408 465C408 570 327 635 237 635C179 635 131 609 100 575L42 494L67 471C94 510 138 565 205 565C277 565 321 517 321 435C321 348 258 270 195 195C146 137 88 81 33 26V0H411C423 44 433 88 446 135L414 144Z" id="g50-51"></path></g><g transform="matrix(.0091,0,0,-0.0091,20.155,3.132)"><path d="M528 97L513 125C484 95 440 68 431 68C425 68 421 76 427 107C449 227 476 342 505 451H495L418 424L385 278C338 191 220 62 157 62C145 62 133 76 145 130L200 368C215 434 210 451 183 451C157 451 92 418 24 352L37 324C78 356 106 377 115 377C123 377 122 364 116 340L64 115C58 89 56 68 56 52C56 2 78 -12 103 -12C127 -12 159 -4 190 18C247 59 309 113 366 187H368L351 108C328 1 348 -12 368 -12C403 -12 472 33 528 97Z" id="g50-118"></path></g></svg>,</span> <span 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Journal of Spectroscopy

fig23

Figure 23

Figure 23: 1s2p RIXS Calculations for 3d Transition Metal Ions in Octahedral Symmetry 