固体物理计算题(改).docxVIP

计算题2-7 Consider the free and independent electron gas in two dimensionsFind the relation between the Fermi wave vector kF and the electron number density n, where n is the number of electrons per unit area.找波矢KF与电子密度n的关系。Compute the free electron density of states g(E) in two dimensions.计算二维的自由电子的态密度g(E)。波矢k的分布密度为ρ(k)=N/S=N(sa/4π2)=S/4π2∴波矢k的取值总数为ρ(k)·πk2∴电子能态总数 Z(E)=2ρ(k)·πk2∵能量E=(hk)2/2m∴Z(E)=2ρ(k)·π·2mE/h2=2(S/4π2)·π·2mE/h2=SmE/πh2∴自由电子的态密度g(E)=dZ(E)/dE=Sm/πh2∴系统的总电子数 N=∫0∞g(E)·f(E)dE=∫0EFg(E)dE=∫0EFSmE/πh2dE=SmEF/πh2（其中f(E)为费密分布类似概率密度）∴EF=Nπh2/Sm=(πh2/m)n又∵EF=(hkF)2/2m∴(hkF)2/2m=(πh2/m)n∴kF2=2πn3-5 A crystal has a basis of one atom per lattice point and a set of primitive vectors (in 10-10m) 一个晶体有一组基矢a=3ex, b=3ey, c=3(ex+ey+ez)/2,whereex, ey, and ez are unit vectors in the x, y, and z directions of a Cartesian coordinate system.ex，ey和ez分别是直角坐标系坐标轴的单位矢量What is the Bravais lattice type of this crystal?是什么布拉菲晶格？Compute the volumes of the primitive and conventional unit cells.计算初基原胞和惯用原胞的体积。∵a+b-c=3(ex+ey-ez)/2，c-b=3(ex-ey+ez)/2，c-a=3(-ex+ey+ez)/2∴这是体心立方∵初基原胞的体积Ω=a·(b×c)=27/2∵体心立方的惯用原胞体积是初基原胞的两倍∴Ω2=2Ω=2711-5 Consider a diatomic molecule due to the van der Waals bond.考虑一个由范德瓦尔键形成的二原子分子。Show that the equilibrium separation is given by R0=21/6σ.证明平衡距离是R0=21/6σ。Find the strength of the van der Waals bond in the molecule.找出这个分子的范德瓦尔键的势能。证明：根据范德瓦尔键的势能表达式 U(R)=(B/R12)-(A/R6)假设B=4εσ12，A=4εσ6 用变量ε，σ代替A，B∴U(R)=4ε[(σ/R)12-(σ/R)6]∵相互作用力f(R)=-dU(R)/dR∴当平衡时f(R0)=-dU(R)/dR|R=R0=4ε(12σ12R0-13-6σ6R0-7) =24εσ6R-7(2σ6R0-6-1)=0∴R0=21/6σ由上面证明知R0=21/6σ∴代入U(R0)=4ε[(σ/R0)12-(σ/R0)6] =4ε(2-2-2-1)=-ε∴范德瓦尔键的势能是大小为ε的吸引能12-3 The total energy of a three-dimensional ionic crystal is given by三维离子晶体的总势能是 U(R)=(NA/R12)-(NαZ2e2/4πε0R)Where N is the number of ion pairs and R the nearest-neighbor distance. N是离子对的数量，R是最近距离。Derive an expression of the equilibrium value of the nearest-neighbor distance.求平衡时最近距离表达式。Compute the binding energy per ion pair in equilibrium.计算