CALCULATION OF ELECTRONIC STRUCTURE OF 2D NaAu INTERMETALLIC LAYERS

Проведен расчет плотности состояний различной толщины 2D -слоев интерметаллида NaAu. 2D -слоев интерметаллида NaAu моделировались суперячейки NaAu (111) 2 х 2 х 2. Для монослойного 2D -слоя интерметаллида NaAu установлено наличие запрещенной зоны с шириной 1,87 эВ. Увеличение толщины толщины 2D -слоев интерметаллида NaAu до двух монослоев показал уменьшение ширины запрещенной зоны до 0,81эВ. Дальнейшее увеличение толщины 2D -слоев интерметаллида NaAu приводит к исчезновению запрещенной зоны, что указывает на переход полупроводник - металл для 2D -слоя интерметаллида NaAu толщиной три монослоя. Валентная зона 2D -слоя интерметаллида NaAu сформирована в основном Au 5d электронами, с незначительным вкладом Au 6s и Au 6p электронов. Зона проводимости NaAu образована в основном Au 6р электронами с незначительным вкладом электронов Na 3 s . The calculation of the density of states of various thicknesses of the 2D -layers of the intermetallic compound has been carried out. 2D -layers of intermetallic compound NaAu are simulated by supercells NaAu (111) 2 x 2 x 2. For a monolayer 2D -layer of an intermetallic compound NaAu the presence of a bandgap with a width of 1,87 eV has been established. An increase in the thickness of the 2D -layers of the intermetallic compound NaAu to two monolayers showed a decrease in the bandgap to 0,81 eV. A further increase in the thickness of the 2D -layers of the intermetallic compound NaAu leads to the disappearance of the band gap, which indicates a semiconductor-metal transition for the 2D -layer of the intermetallic compound NaAu with a thickness of three monolayers. The valence band of the 2D -layer of the intermetallic compound NaAu is formed mainly by Au 5d electrons, with an insignificant contribution from Au 6s and Au 6p electrons. The conduction band of NaAu is formed mainly by Au 6p electrons with an insignificant contribution of electrons Na 3s .

ELECTRON-STIMULATED DESORPTION OF LITHIUM ATOMS ADSORBED ON THE SURFACE OF GOLD-LITHIUM INTERMETALLIC

Получена тонкая пленка интерметаллида LiAu при комнатной температуре при напылении атомов Li на слой адсорбированного золота на поверхности вольфрама. Исследованы процессы электронно-стимулированной десорбции (ЭСД) атомов Li с поверхности LiAu. Показано, что ЭСД атомов Li может наблюлаться только в том случае, когда напылено не менее одного монослоя атомов Li и с Au . Зависимость выхода ЭСД атомов Li от количества напыленного Li и Au имеет максимум при напылении двух монослоев атомов Li на Au. Полученные результаты свидетельствуют о формировании LiAu различной стехиометрии: от LiAu с дефицитом атомов лития до LiAu при напылении двух монослоев атомов Li. В энергетическом распределении по кинетическим энергиям десорбирующихся атомов Li обнаружено два пика: высокоэнергетический и низкоэнергетический. Первый из них связан с десорбцией атомов Li из LiAu, а второй в десорбцией атомов Li из верхнего монослоя атомов Li. A thin film of the intermetallic compound LiAu was obtained at room temperature by deposition Li atoms onto a layer of adsorbed gold on the tungsten surface. The processes of electron-stimulated desorption of Li atoms from the surface are investigated. It is shown that electron-stimulated desorption of Li atoms can be observed only in the case when at least one monolayer of Li and Au atoms is deposited. The dependence of the electron-stimulated desorption yield of Li atoms on the amount of deposited has a maximum when two monolayers of atoms Li are deposited on Au . The results obtained indicate the LiAu formation of various stoichiometry: from with a deficit of lithium atoms to the deposition of two monolayers of atoms. In the kinetic energy distribution of desorbed Li atoms, two peaks were found: high-energy and low-energy. The first of them is associated with the desorption of Li atoms from LiAu, and the second with the desorption of Li atoms from the upper monolayer of Li atoms.

The Evolution of Intermetallic Compounds in High-Entropy Alloys: From the Secondary Phase to the Main Phase

High-performance structural materials are critical to the development of transportation, energy, and aerospace. In recent years, newly developed high-entropy alloys with a single-phase solid-solution structure have attracted wide attention from researchers due to their excellent properties. However, this new material also has inevitable shortcomings, such as brittleness at ambient temperature and thermodynamic instability at high temperature. Efforts have been made to introduce a small number of intermetallic compounds into single-phase solid-solution high-entropy alloys as a secondary phase to their enhance properties. Various studies have suggested that the performance of high-entropy alloys can be improved by introducing more intermetallic compounds. At that point, researchers designed an intermetallic compound-strengthened high-entropy alloy, which introduced a massive intermetallic compound as a coherent strengthening phase to further strengthen the matrix of the high-entropy alloy. Inspired from this, Fantao obtained a new alloy—high-entropy intermetallics—by introducing different alloying elements to multi-principalize the material in a previous study. This new alloy treats the intermetallic compound as the main phase and has advantages of both structural and functional materials. It is expected to become a new generation of high-performance amphibious high-entropy materials across the field of structure and function. In this review, we first demonstrate the inevitability of intermetallic compounds in high-entropy alloys and explain the importance of intermetallic compounds in improving the properties of high-entropy alloys. Secondly, we introduce two new high-entropy alloys mainly from the aspects of composition design, structure, underlying mechanism, and performance. Lastly, the high-entropy materials containing intermetallic compound phases are summarized, which lays a theoretical foundation for the development of new advanced materials.