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Los electrones correlacionados en el delta-plutonio dentro de una imagen de campo medio dinámico

S Y Savrasov¹, G Kotliar, E Abrahams

¹Department of Physics and Astronomy and Center for Materials Theory, Rutgers University, Piscataway, New Jersey 08854-8019, USA. savrasov@physics.rutgers.edu

|April 12, 2001

Resumen

Plutonio metálico y plutonio metálico.

Área de la Ciencia:

Física de la materia condensada Física de la materia condensada Física de la materia condensada Física de la materia condensada Física de la materia condensada
Ciencia de los materiales ciencia de los materiales.
Química de las actinidas.

Sus antecedentes:

El plutonio metálico exhibe una expansión de volumen significativa entre sus fases alfa y delta.
Este fenómeno es crítico para el almacenamiento y la eliminación del plutonio.
El comportamiento electrónico único del plutonio está relacionado con su posición en la tabla periódica, cerca de la transición de los actinuros.

Objetivo del estudio:

Para investigar las propiedades fundamentales del plutonio metálico.
Comprender la base de la estructura electrónica para la transición de fase alfa-delta y la expansión de volumen.
Desarrollar un método teórico capaz de describir los sistemas de electrones correlacionados del plutonio.

Principales métodos:

Desarrollo de un método de estructura electrónica basado en la teoría dinámica del campo medio (DMFT).
El método permite la interpolación entre el comportamiento de los electrones tipo banda y el comportamiento de los electrones tipo átomo.
Aplicación para estudiar el diagrama de fases, la energía y los espectros de un solo electrón del plutonio.

Principales resultados:

El estudio explica el origen de la expansión de volumen entre las fases alfa y delta del plutonio.
Se predice un fuerte pico de cuasipartículas cerca del nivel de Fermi.
Las fases alfa y delta se caracterizan por estar en lados opuestos de una transición localización-delocalización.

Conclusiones:

El nuevo enfoque teórico proporciona información crucial sobre la compleja física del plutonio.
Aclara el comportamiento de los electrones que impulsan la transición de fase y el cambio de volumen.
Este trabajo ofrece una nueva perspectiva sobre sistemas fuertemente correlacionados en la frontera de los actínidos.

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