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005 20231030040358.0
035 _a(RuTPU)RU\TPU\network\5073
035 _aRU\TPU\network\5063
090 _a640524
100 _a20150417a2015 k y0engy50 ba
101 0 _aeng
105 _ay z 100zy
135 _adrcn ---uucaa
181 0 _ai
182 0 _ab
200 1 _aSpatial Distribution of Potential Created by an External Perturbation in Pd and PdH
_fV. M. Silkin, V. U. Nazarov, I. P. Chernov
203 _aText
_celectronic
225 1 _aRadiation Technologies in Medicine
300 _aTitle screen
330 _aSpatial distributions of a potential established inside a crystal by an externally applied potential are investigated theoretically in Pd and PdH. The calculations were performed in the framework of the linear-response approach with full inclusion of the electron band structure obtained within a self-consistent pseudopotential scheme. Analysis shows that in clean palladium the potential amplitude is maximal at the octahedral sites of the fcc lattice where the hydrogen ions predominantly reside. On the other hand the corresponding amplitude is significantly lower at the palladium ion positions. We observe drastic modifications in the screening properties in Pd upon hydrogen absorption. Nevertheless, the potential amplitude in PdH is also small at the Pd sites, whereas that at the H sites is significantly larger. However, in PdH the H ions are located at places where a local shallow minimum in the induced potential amplitude is observed. These results only slightly depend on the magnitude of the momentum transfer.
333 _aРежим доступа: по договору с организацией-держателем ресурса
461 1 _0(RuTPU)RU\TPU\network\4598
_tComputation, Automation, Information Technologies and Safety Systems in Nuclear Industry
_oScientific Journal
463 1 _0(RuTPU)RU\TPU\network\4600
_tVol. 1084 : Physical-Technical Problems of Nuclear Science, Energy Generation, and Power Industry (PTPAI -2014)
_oThe VIth International Conference, June 5-7, 2014, Tomsk, Russia
_o[proceedings]
_fNational Research Tomsk Polytechnic University (TPU)
_v[P. 708-712]
_d2015
610 1 _aэлектронный ресурс
610 1 _aтруды учёных ТПУ
610 1 _aэлектронные возбуждения
610 1 _aгидриды
610 1 _aпалладий
700 1 _aSilkin
_bV. M.
701 1 _aNazarov
_bV. U.
701 1 _aChernov
_bI. P.
_cDoctor of Physical and Mathematical Sciences (DSc), Professor of the Department of General Physics of Tomsk Polytechnic University (TPU)
_f1935-
_gIvan Petrovich
_2stltpush
_3(RuTPU)RU\TPU\pers\30202
712 0 2 _aНациональный исследовательский Томский политехнический университет (ТПУ)
_bФизико-технический институт (ФТИ)
_bКафедра общей физики (ОФ)
_h136
_2stltpush
_3(RuTPU)RU\TPU\col\18734
801 2 _aRU
_b63413507
_c20161228
_gRCR
856 4 _uhttp://dx.doi.org/10.4028/www.scientific.net/AMR.1084.708
942 _cCF