Electronic band structure of platinum low--index surfaces: an ab initio and tight--binding study. II
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Universidad Nacional Autónoma de México
Resumen: We present the calculated electronic band structure of ideal Pt(100) and Pt(110) surface by using density functional theory and the empirical tight--binding method. A detailed discussion of the surface-- and resonance--states is given. It is shown that the calculated surface-- and resonance...
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| Format: | Artículo de Investigación |
| Language: | English |
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Sociedad Mexicana de Física, A.C.
2012
Universidad Nacional Autónoma de México; Facultad de Ciencias |
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| _version_ | 1877697784389304320 |
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| author | Herrera Suárez, H. J. Rubio Ponce, A. Olguín. |
| author_facet | Herrera Suárez, H. J. Rubio Ponce, A. Olguín. |
| author_sort | Herrera Suárez, H. J. |
| collection | Repositorio Institucional UNAM |
| description | Resumen: We present the calculated electronic band structure of ideal Pt(100) and Pt(110) surface by using density functional theory and the empirical tight--binding method. A detailed discussion of the surface-- and resonance--states is given. It is shown that the calculated surface-- and resonance--states of ideal Pt(100) surfaces agree very well with the available experimental data. For Pt(110), some of the surface-- and resonance--states are characteristic of the low symmetry of the surface and are identified as being independent of surface reconstruction effects. As in the previous paper, the density functional calculations were performed using the full potential linearized augmented plane wave method, and the empirical calculations were performed using the tight--binding method and Surface Green's Function Matching Method. |
| format | Artículo de Investigación |
| id | unam-41752 |
| institution | Universidad Nacional Autónoma de México |
| language | English |
| publishDate | 2012 |
| publisher | Sociedad Mexicana de Física, A.C. Universidad Nacional Autónoma de México; Facultad de Ciencias |
| record_format | dspace |
| spelling | Electronic band structure of platinum low--index surfaces: an ab initio and tight--binding study. II Herrera Suárez, H. J. Rubio Ponce, A. Olguín. Físico Matemáticas y Ciencias de la Tierra Ab initio calculations surface states resonance states tight--binding calculations metal surfaces Procedencia: Universidad Nacional Autónoma de México Repositorio Institucional de la UNAM: https://repositorio.unam.mx/ Resumen: We present the calculated electronic band structure of ideal Pt(100) and Pt(110) surface by using density functional theory and the empirical tight--binding method. A detailed discussion of the surface-- and resonance--states is given. It is shown that the calculated surface-- and resonance--states of ideal Pt(100) surfaces agree very well with the available experimental data. For Pt(110), some of the surface-- and resonance--states are characteristic of the low symmetry of the surface and are identified as being independent of surface reconstruction effects. As in the previous paper, the density functional calculations were performed using the full potential linearized augmented plane wave method, and the empirical calculations were performed using the tight--binding method and Surface Green's Function Matching Method. Sociedad Mexicana de Física, A.C. Universidad Nacional Autónoma de México; Facultad de Ciencias 2012-01-01 Text Artículo de Investigación application/pdf Cita bibliográfica: Herrera Suárez, H. J., et al. (2012). Electronic band structure of platinum low--index surfaces: an ab initio and tight--binding study. II. Revista Mexicana de Física; Vol 58, No 1: 46-54. Recuperado de https://rmf.smf.mx/ojs/rmf/article/view/3883 ISSN: 2683-2224 (digital); 0035-001X (impresa) https://repositorio.unam.mx/contenidos/41752 eng Revista Mexicana de Física; Vol 58, No 1 (2012): 46-54 https://rmf.smf.mx/ojs/rmf/index Nivel de acceso: Público La titularidad de los derechos patrimoniales de esta obra pertenece a las instituciones editoras. Su uso se rige por una licencia Creative Commons BY-NC-ND 4.0 Internacional, https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode.es, fecha de asignación de la licencia 2012-01-01, para un uso diferente consultar al responsable jurídico del repositorio por medio de rmf@ciencias.unam.mx |
| spellingShingle | Electronic band structure of platinum low--index surfaces: an ab initio and tight--binding study. II Herrera Suárez, H. J. Rubio Ponce, A. Olguín. Físico Matemáticas y Ciencias de la Tierra Ab initio calculations surface states resonance states tight--binding calculations metal surfaces |
| title | Electronic band structure of platinum low--index surfaces: an ab initio and tight--binding study. II |
| title_full | Electronic band structure of platinum low--index surfaces: an ab initio and tight--binding study. II |
| title_fullStr | Electronic band structure of platinum low--index surfaces: an ab initio and tight--binding study. II |
| title_full_unstemmed | Electronic band structure of platinum low--index surfaces: an ab initio and tight--binding study. II |
| title_short | Electronic band structure of platinum low--index surfaces: an ab initio and tight--binding study. II |
| title_sort | electronic band structure of platinum low--index surfaces: an ab initio and tight--binding study. ii |
| topic | Físico Matemáticas y Ciencias de la Tierra Ab initio calculations surface states resonance states tight--binding calculations metal surfaces |
| topic_facet | Físico Matemáticas y Ciencias de la Tierra Ab initio calculations surface states resonance states tight--binding calculations metal surfaces |
| url | https://repositorio.unam.mx/contenidos/41752 |