Large scale computer simulations of strain distribution and electron effective masses in silicon <100> nanowires

Tuma, Christian; Curioni, Alessandro
May 2010
Applied Physics Letters;5/10/2010, Vol. 96 Issue 19, p193106
Academic Journal
A multiscale method is proposed to analyze the internal redistribution of tensile strain applied to silicon <100> nanowires and its effect on electron effective masses m*. Nonperiodic, realistic models of unprecedented size containing up to 2.2×107 atoms (652×26×26 nm3) allow the identification of nonuniform redistribution patterns specific to the constraints applied to impose external strain. Depending on how the external strain is imposed, silicon nanowires can show m* behavior similar to strained bulk silicon, or, as a function of nanowire size, can display intrinsic strain large enough that external strain hardly reduces m* further. For nanowire cross section sizes smaller than 8×8 nm2 quantum confinement leads to an increase in m* which cannot be compensated for by tensile strain.


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