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A Study of Temperature-dependent Properties of N-type d-doped Si Band-structures in Equilibrium

Hoon Ryu   Sunhee Lee   Klimeck, G.  
Network for Comput. Nanotechnol., Purdue Univ., West Lafayette, IN
This paper appears in: Computational Electronics, 2009. IWCE '09. 13th International Workshop on
Publication Date: 27-29 May 2009
On page(s): 1 - 4
Location: Beijing
ISBN: 978-1-4244-3925-6
Digital Object Identifier: 10.1109/IWCE.2009.5091082
Current Version Published: 2009-06-23

Abstract
A highly phosphorus delta-doped Si device is modeled with a quantum well with periodic boundary conditions and the semi-empirical spds* tight-binding band model. Its temperature-dependent electronic properties are studied. To account for high doping density with many electrons, a highly parallelized self-consistent Schrodinger-Poisson solver is used with atomistic representations of multiple impurity ions. The band-structure in equilibrium and the corresponding Fermi-level position are computed for a selective set of temperatures. The result at room temperature is compared with previous studies and the temperature-dependent electronic properties are discussed further in detail with the calculated 3-D self-consistent potential profile.

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