Bridging the Gap between Crystal Theory and Semiconductor Physics

TL;DR

This paper proposes a mathematical transformation linking perfect crystal theory with practical semiconductor physics, providing a new conceptual framework to understand impurity states and interfaces in devices.

Contribution

It introduces a residual-difference transformation that connects crystal theory with semiconductor device modeling, enabling a position-dependent band structure concept.

Findings

Residual difference transformation clarifies impurity states

Enables systematic definition of position-dependent band structures

Bridges fundamental crystal theory with practical device physics

Abstract

The theory of perfect crystals, founded upon the Bloch theorem, gives an understanding of extended quantum states grouped into energy bands, and permits the derivation of the dynamics of electrons in those states. The semiconductor physics used to explain the operation of electronic devices treats the (imperfect) semiconductor crystal as a uniform effective medium in which positively and negatively charged quasi-particles mostly obey Newtonian dynamics, and in which the chemistry of impurity atoms is far different from that of those same atoms in free space. The connection between these two pictures can be made by made by invoking a mathematical transformation that takes the finite-temperature, impure device structure and algebraically subtracts from it a perfect crystal, leaving only the residual differences to be analyzed. This notion of the residual difference offers a conceptual basis for understanding many aspects of semiconductor physics, including the properties of impurity states and heterogeneous interfaces. The mesoscopic transformation that underlies the residual-difference picture provides the systematic way to define a concept that is essential to the understanding of semiconductor devices: a position-dependent band structure.