Core electron level shifts in zirconium induced by vacancy, helium and hydrogen; Computational Materials Science; Vol. 153
| Parent link: | Computational Materials Science Vol. 153.— 2018.— [P. 176–182] |
|---|---|
| Autores Corporativos: | , |
| Otros Autores: | , , , |
| Sumario: | Title screen The paper presents a first-principle calculation of the influence of lattice defects (a hydrogen atom, a vacancy and a helium-in-vacancy complex) and their concentration on the core electron binding energies in zirconium atoms. It is shown that the formation of a vacancy or a helium-in-vacancy complex causes core-level shifts of Zr atoms to lower binding energies. Hydrogen dissolution leads to core-level shifts to both lower and higher binding energies. Besides, the effects of electron density redistribution in zirconium (due to the appearance of the defect and, as a consequence, the change of the crystal volume and the lattice relaxation around the defect) on the core electron binding energies are studied. Режим доступа: по договору с организацией-держателем ресурса |
| Lenguaje: | inglés |
| Publicado: |
2018
|
| Materias: | |
| Acceso en línea: | https://doi.org/10.1016/j.commatsci.2018.06.034 |
| Formato: | Electrónico Capítulo de libro |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=660570 |
MARC
| LEADER | 00000naa0a2200000 4500 | ||
|---|---|---|---|
| 001 | 660570 | ||
| 005 | 20250404103946.0 | ||
| 035 | |a (RuTPU)RU\TPU\network\30094 | ||
| 090 | |a 660570 | ||
| 100 | |a 20190805d2018 k||y0rusy50 ba | ||
| 101 | 0 | |a eng | |
| 102 | |a NL | ||
| 135 | |a drcn ---uucaa | ||
| 181 | 0 | |a i | |
| 182 | 0 | |a b | |
| 200 | 1 | |a Core electron level shifts in zirconium induced by vacancy, helium and hydrogen |f L. A. Svyatkin [et al.] | |
| 203 | |a Text |c electronic | ||
| 300 | |a Title screen | ||
| 320 | |a [References: 26 tit.] | ||
| 330 | |a The paper presents a first-principle calculation of the influence of lattice defects (a hydrogen atom, a vacancy and a helium-in-vacancy complex) and their concentration on the core electron binding energies in zirconium atoms. It is shown that the formation of a vacancy or a helium-in-vacancy complex causes core-level shifts of Zr atoms to lower binding energies. Hydrogen dissolution leads to core-level shifts to both lower and higher binding energies. Besides, the effects of electron density redistribution in zirconium (due to the appearance of the defect and, as a consequence, the change of the crystal volume and the lattice relaxation around the defect) on the core electron binding energies are studied. | ||
| 333 | |a Режим доступа: по договору с организацией-держателем ресурса | ||
| 461 | |t Computational Materials Science | ||
| 463 | |t Vol. 153 |v [P. 176–182] |d 2018 | ||
| 610 | 1 | |a электронный ресурс | |
| 610 | 1 | |a труды учёных ТПУ | |
| 610 | 1 | |a binding energy | |
| 610 | 1 | |a core-level shift | |
| 610 | 1 | |a charge transfer | |
| 610 | 1 | |a hydrogen | |
| 610 | 1 | |a helium | |
| 610 | 1 | |a vacancy | |
| 610 | 1 | |a энергия связи | |
| 610 | 1 | |a заряд | |
| 610 | 1 | |a водород | |
| 610 | 1 | |a гелий | |
| 610 | 1 | |a вакансии | |
| 701 | 1 | |a Svyatkin |b L. A. |c physicist |c Associate Professor of Tomsk Polytechnic University, Candidate of Physical and Mathematical Sciences |f 1988- |g Leonid Aleksandrovich |3 (RuTPU)RU\TPU\pers\34216 |9 17747 | |
| 701 | 1 | |a Lopatina |b O. V. |c physicist |c assistant Professor of Tomsk Polytechnic University, candidate of physico-mathematical Sciences |f 1979- |g Oksana Valerievna |3 (RuTPU)RU\TPU\pers\34217 |9 17748 | |
| 701 | 1 | |a Chernov |b I. P. |c Doctor of Physical and Mathematical Sciences (DSc), Professor of the Department of General Physics of Tomsk Polytechnic University (TPU) |f 1935- |g Ivan Petrovich |3 (RuTPU)RU\TPU\pers\30202 |9 14596 | |
| 701 | 1 | |a Koroteev |b Yu. M. |c physicist |c programming specialist at Tomsk Polytechnic University |f 1959- |g Yuri Mikhailovich |3 (RuTPU)RU\TPU\pers\30447 | |
| 712 | 0 | 2 | |a Национальный исследовательский Томский политехнический университет |b Инженерная школа ядерных технологий |b Отделение экспериментальной физики |3 (RuTPU)RU\TPU\col\23549 |
| 712 | 0 | 2 | |a Национальный исследовательский Томский политехнический университет |b Школа базовой инженерной подготовки |b Отделение естественных наук |3 (RuTPU)RU\TPU\col\23562 |
| 801 | 2 | |a RU |b 63413507 |c 20190805 |g RCR | |
| 856 | 4 | |u https://doi.org/10.1016/j.commatsci.2018.06.034 | |
| 942 | |c CF | ||