Page 48 - Science at the nanoscale
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9:2
                                                     RPS: PSP0007 - Science-at-Nanoscale
                   June 9, 2009
                              Brief Review of Quantum Mechanics
                          38
                                           2
                                   where ∇ represents the Laplacian given, in Cartesian coordi-
                                   nates, by
                                                                   2
                                                                         2
                                                            2
                                                                        d ψ
                                                                  d ψ
                                                           d ψ
                                                      2
                                                                                        (3.13)
                                                     ∇ ψ =
                                                               +
                                                                     +
                                                                    2
                                                              2
                                                                          2
                                                            dx
                                                                  dy
                                                                        dz
                                   and V represents the potential energy term.
                                     The time-independent Schr¨odinger equation is given as follows
                                                         2
                                                        h
                                                              2
                                                                                        (3.14)
                                                     −
                                                            ∇ ψ + Vψ = Eψ
                                                           2
                                                       8mπ
                                   where E represents the total energy of the particle.
                                     For a one-dimensional system, Eq. 3.14 becomes
                                                         2
                                                              2
                                                        h
                                                             d ψ
                                                                                        (3.15)
                                                                 + Vψ = Eψ
                                                     −
                                                               2
                                                           2
                                                             dx
                                                       8mπ
                                     Hence, if the potential energy V of a physical system is known,
                                   one can make use of Eq. 3.15 to determine the corresponding
                                   wavefunction. Thus the functional form for the wavefunction de-
                                   pends on the potential energy V.
                                   3.2.2
                                          Particle in a Potential Box
                                   A simple problem that is commonly discussed and relevant to
                                   nanoscience is the case of a particle of mass m, trapped in a
                                   potential box. Consider the one-dimensional potential box with a
                                   width L as illustrated in Fig. 3.2. Our main task is to find the wave-  ch03
                                   functions that would describe the properties of a particle trapped
                                   inside such a potential box. In this case, the particle is restricted to
                                   move only in the region 0 < x < L where the potential energy is
                                   equal to zero. In the regions x < 0 and x > L, the potential energy
                                   increases sharply to infinity such that it is impossible to find the
                                   particle in these regions. i.e. ψ(x, t) = 0 in these regions.
                                     The next task would be to find the wavefunction for the particle
                                   in the region 0 < x < L, where potential energy V = 0. Using
                                   Eq. 3.15 with V = 0, we have
                                                                2
                                                           h 2  d ψ
                                                        −    2    2  = Eψ               (3.16)
                                                         8mπ   dx
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