{"title":"关于非对称金属电介质纳米夹层的功函数和表面电势的特定行为","authors":"V. Pogosov","doi":"10.1063/10.0025300","DOIUrl":null,"url":null,"abstract":"We examine thin film on a dielectric substrate (vacuum/Al/SiO2) in the stabilized jellium model and the Kohn–Sham method. We investigate surface and size effects on the effective potential and the electron work function, and analyze the spatial distributions of electrons and potentials. It is found that a dielectric environment generally leads to a decrease in the work function. The effect of dielectric confinement for the electron work function of the asymmetric metal-dielectric nanosandwiches is reduced only by the surface area weighted average value of the dielectric constants. This conclusion follows from the application of the Gauss theorem for a conducting sphere with an inhomogeneous dielectric coating. The flow of electrons from the dielectric face to the vacuum one due to the contact potential difference manifests itself in the appearance of an additional dipole between the left and right face within the spatial distributions of ions. This leads to the fact that in a vacuum the electrostatic and effective potentials change sign twice, as a result of which a potential barrier appears above the vacuum level. We introduced the position of an electron conduction band in the dielectric as the input parameter in the self-consistency procedure for one of the sandwich approximations. As it turned out, the barrier height depends only on the used local or non-local approximation of the exchange-correlation energy. The nontrivial origin and behavior of the calculated effective potential on the vacuum side of the film, as well as the reasons for it, are discussed.","PeriodicalId":18077,"journal":{"name":"Low Temperature Physics","volume":null,"pages":null},"PeriodicalIF":0.6000,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"On the specific behavior of the work function and surface potential of an asymmetric metal-dielectric nanosandwich\",\"authors\":\"V. Pogosov\",\"doi\":\"10.1063/10.0025300\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"We examine thin film on a dielectric substrate (vacuum/Al/SiO2) in the stabilized jellium model and the Kohn–Sham method. We investigate surface and size effects on the effective potential and the electron work function, and analyze the spatial distributions of electrons and potentials. It is found that a dielectric environment generally leads to a decrease in the work function. The effect of dielectric confinement for the electron work function of the asymmetric metal-dielectric nanosandwiches is reduced only by the surface area weighted average value of the dielectric constants. This conclusion follows from the application of the Gauss theorem for a conducting sphere with an inhomogeneous dielectric coating. The flow of electrons from the dielectric face to the vacuum one due to the contact potential difference manifests itself in the appearance of an additional dipole between the left and right face within the spatial distributions of ions. This leads to the fact that in a vacuum the electrostatic and effective potentials change sign twice, as a result of which a potential barrier appears above the vacuum level. We introduced the position of an electron conduction band in the dielectric as the input parameter in the self-consistency procedure for one of the sandwich approximations. As it turned out, the barrier height depends only on the used local or non-local approximation of the exchange-correlation energy. The nontrivial origin and behavior of the calculated effective potential on the vacuum side of the film, as well as the reasons for it, are discussed.\",\"PeriodicalId\":18077,\"journal\":{\"name\":\"Low Temperature Physics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.6000,\"publicationDate\":\"2024-04-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Low Temperature Physics\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://doi.org/10.1063/10.0025300\",\"RegionNum\":4,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"PHYSICS, APPLIED\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Low Temperature Physics","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1063/10.0025300","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, APPLIED","Score":null,"Total":0}
On the specific behavior of the work function and surface potential of an asymmetric metal-dielectric nanosandwich
We examine thin film on a dielectric substrate (vacuum/Al/SiO2) in the stabilized jellium model and the Kohn–Sham method. We investigate surface and size effects on the effective potential and the electron work function, and analyze the spatial distributions of electrons and potentials. It is found that a dielectric environment generally leads to a decrease in the work function. The effect of dielectric confinement for the electron work function of the asymmetric metal-dielectric nanosandwiches is reduced only by the surface area weighted average value of the dielectric constants. This conclusion follows from the application of the Gauss theorem for a conducting sphere with an inhomogeneous dielectric coating. The flow of electrons from the dielectric face to the vacuum one due to the contact potential difference manifests itself in the appearance of an additional dipole between the left and right face within the spatial distributions of ions. This leads to the fact that in a vacuum the electrostatic and effective potentials change sign twice, as a result of which a potential barrier appears above the vacuum level. We introduced the position of an electron conduction band in the dielectric as the input parameter in the self-consistency procedure for one of the sandwich approximations. As it turned out, the barrier height depends only on the used local or non-local approximation of the exchange-correlation energy. The nontrivial origin and behavior of the calculated effective potential on the vacuum side of the film, as well as the reasons for it, are discussed.
期刊介绍:
Guided by an international editorial board, Low Temperature Physics (LTP) communicates the results of important experimental and theoretical studies conducted at low temperatures. LTP offers key work in such areas as superconductivity, magnetism, lattice dynamics, quantum liquids and crystals, cryocrystals, low-dimensional and disordered systems, electronic properties of normal metals and alloys, and critical phenomena. The journal publishes original articles on new experimental and theoretical results as well as review articles, brief communications, memoirs, and biographies.
Low Temperature Physics, a translation of the copyrighted Journal FIZIKA NIZKIKH TEMPERATUR, is a monthly journal containing English reports of current research in the field of the low temperature physics. The translation began with the 1975 issues. One volume is published annually beginning with the January issues.