First-principles calculations of the pressure dependence on the structural and electronic properties of GaN/CrN superlattice
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| Format: | Artículo científico |
| Langue: | en |
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Universidad de Antioquia
2015
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| _version_ | 1876484647125254144 |
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| author | Miguel José Espitia-Rico |
| author_facet | Miguel José Espitia-Rico |
| contents | First-principles calculations of the pressure dependence on the structural and electronic properties of GaN/CrN superlattice Miguel José Espitia-Rico John Hernán Díaz-Forero Luis Eduardo Castillo-Méndez Ingeniería superlattice pressure effects Electronic properties This work provides fi rst-principle calculations to investigate how pressure affects the electronic and magnetic properties of 1x1-GaN/CrN superlattice. A method based on Full-Potential Linearized Augmented Plane Waves (FP-LAPW) is used exactly as implemented in code Wien2k. It was found that the most favorable phase for 1x1-GaN/CrN superlattice is the hexagonal wurtzite type, and also that, due to pressure, the superlattice can reach the NaCl phase, with a transition pressure PT1 = 13.5 GPa. Additionally, in the most favorable phase, it was observed that the magnetic moment changes from 0 to 2.1 μβfor a transition pressure PT2 = 25.50 GPa. From the calculations of the density states, it can be stated that the superlattice exhibits a half-metallic behavior at equilibrium pressure. Moreover, at high pressures P > PT2, the superlattice exhibits a metallic behavior. The evidence indicates that the superlattice may be used in spintronics. 2015 artículo científico 0120-6230 https://www.redalyc.org/articulo.oa?id=43042289017 en http://www.redalyc.org/revista.oa?id=430 Revista Facultad de Ingeniería Universidad de Antioquia application/pdf Universidad de Antioquia Revista Facultad de Ingeniería Universidad de Antioquia (Colombia) Num.76 |
| format | Artículo científico |
| id | redalyc_43042289017 |
| institution | Redalyc |
| language | en |
| publishDate | 2015 |
| publisher | Universidad de Antioquia |
| spellingShingle | First-principles calculations of the pressure dependence on the structural and electronic properties of GaN/CrN superlattice Miguel José Espitia-Rico Ingeniería superlattice pressure effects Electronic properties First-principles calculations of the pressure dependence on the structural and electronic properties of GaN/CrN superlattice Miguel José Espitia-Rico John Hernán Díaz-Forero Luis Eduardo Castillo-Méndez Ingeniería superlattice pressure effects Electronic properties This work provides fi rst-principle calculations to investigate how pressure affects the electronic and magnetic properties of 1x1-GaN/CrN superlattice. A method based on Full-Potential Linearized Augmented Plane Waves (FP-LAPW) is used exactly as implemented in code Wien2k. It was found that the most favorable phase for 1x1-GaN/CrN superlattice is the hexagonal wurtzite type, and also that, due to pressure, the superlattice can reach the NaCl phase, with a transition pressure PT1 = 13.5 GPa. Additionally, in the most favorable phase, it was observed that the magnetic moment changes from 0 to 2.1 μβfor a transition pressure PT2 = 25.50 GPa. From the calculations of the density states, it can be stated that the superlattice exhibits a half-metallic behavior at equilibrium pressure. Moreover, at high pressures P > PT2, the superlattice exhibits a metallic behavior. The evidence indicates that the superlattice may be used in spintronics. 2015 artículo científico 0120-6230 https://www.redalyc.org/articulo.oa?id=43042289017 en http://www.redalyc.org/revista.oa?id=430 Revista Facultad de Ingeniería Universidad de Antioquia application/pdf Universidad de Antioquia Revista Facultad de Ingeniería Universidad de Antioquia (Colombia) Num.76 |
| title | First-principles calculations of the pressure dependence on the structural and electronic properties of GaN/CrN superlattice |
| topic | Ingeniería superlattice pressure effects Electronic properties |
| url | https://www.redalyc.org/articulo.oa?id=43042289017 |