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Субмонослойная адсорбция Na на поверхность Cu(110): структура и колебательные свойства

Субмонослойная адсорбция Na на поверхность Cu(110): структура и колебательные свойства

Abstract

Представлены результаты исследования субмонослойной адсорбции Na на поверхность Cu(110). Показано, что при малых степенях адсорбции Na (Θ = 0.16-0.25 монослоя) наиболее динамически устойчивой является поверхность подложки, реконструированная по типу отсутствующего ряда (1 × 2).При увеличении степени адсорбции до Θ=0.5 монослоя динамически устойчивой является нереконструированная поверхность подложки с адслоем натрия со структурой с(2 × 2). Анализ проводился на основе данных по равновесной атомной конфигурации, энергии адсорбции, фононных спектров, локальной плотности фононных состояний и поляризации локализованных колебательных мод. Все расчеты проводились с использованием межатомных потенциалов, получаемых в рамках метода погруженного атома. Рассчитанные значения частот локализованных колебательных мод находятся в хорошем согласии с имеющимися экспериментальными данными.

Country
Russian Federation
Related Organizations
Keywords

адсорбция, щелочные металлы, метод погруженного атома, фононные спектры, межатомные потенциалы

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
Green