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Many-particle Hamiltonian for open systems with full Coulomb interaction: Application to classical and quantum time-dependent simulations of nanoscale electron devices
Albareda Piquer, Guillem (Universitat Autònoma de Barcelona. Departament d'Enginyeria Electrònica)
Suñé, Jordi, 1963- (Universitat Autònoma de Barcelona. Departament d'Enginyeria Electrònica)
Oriols Pladevall, Xavier (Universitat Autònoma de Barcelona. Departament d'Enginyeria Electrònica)

Fecha: 2009
Resumen: A many-particle Hamiltonian for a set of particles with Coulomb interaction inside an open system is described without any perturbative or mean-field approximation. The boundary conditions of the Hamiltonian on the borders of the open system [in the real three-dimensional (3D) space representation] are discussed in detail to include the Coulomb interaction between particles inside and outside of the open system. The many-particle Hamiltonian provides the same electrostatic description obtained from the image-charge method, but it has the fundamental advantage that it can be directly implemented into realistic (classical or quantum) electron device simulators via a 3D Poisson solver. Classically, the solution of this many-particle Hamiltonian is obtained via a coupled system of Newton-type equations with a different electric field for each particle. The quantum-mechanical solution of this many-particle Hamiltonian is achieved using the quantum (Bohm) trajectory algorithm [X. Oriols, Phys. Rev. Lett. 98, 066803 (2007)]. The computational viability of the many-particle algorithms to build powerful nanoscale device simulators is explicitly demonstrated for a (classical) double-gate field-effect transistor and a (quantum) resonant tunneling diode. The numerical results are compared with those computed from time-dependent mean-field algorithms showing important quantitative differences.
Nota: Premi a l'excel·lència investigadora. Àmbit de les Ciències Tecnològiques i Enginyeries. 2010
Derechos: Tots els drets reservats
Lengua: Anglès.
Documento: article ; recerca ; publishedVersion
Materia: Semiconductors ; PREI2010
Publicado en: Physical review B : condensed matter and materials physics, Vol. 79, Núm. 7 (February 2009) , art. 075315, ISSN 1098-0121

DOI: 10.1103/PhysRevB.79.075315

16 p, 761.3 KB

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