Ab-initio calculations of spin tunneling through an indirect barrier
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چکیده
منابع مشابه
Ab-initio calculations of spin tunneling through an indirect barrier
We use a fully relativistic layer Green's functions approach to investigate spin-dependent tunneling through a symmetric indirect band gap barrier like GaAs/AlAs/GaAs heterostructure along [100] direction. The method is based on Linear Muffin Tin Orbitals and it is within the Density Functional Theory (DFT) in the Local Density Approximation (LDA). We find that the results of our ab-initio calc...
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P. García-Fernández,1 C. Sousa,2 J. A. Aramburu,1 M. T. Barriuso,3 and M. Moreno1 1Departamento de Ciencias de la Tierra y Física de la Materia Condensada, Universidad de Cantabria, 39005 Santander, Spain 2Departament de Química Física i Centre Especial de Recerca en Química Teórica, Universitat de Barcelona, 08028 Barcelona, Spain 3Departamento de Física Moderna, Universidad de Cantabria, 3900...
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: In this work, different levels of theory containing HF, B3LYP, and MP2 with different basis sets such as 6-31G, 6-31G*, 6-311G, 6-311+G, 6-31+G*, 6-31+G are used to predict relative acidity constants of some aniline derivatives. Three different kinds of radii containing UAHF, Bondi, and Pauling are used to study how cavity forms change acidity constants. In all cases, DPCM model is used to si...
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ژورنال
عنوان ژورنال: PMC Physics B
سال: 2008
ISSN: 1754-0429
DOI: 10.1186/1754-0429-1-13