论文标题
使用量子计算机重新访问半导体散装汉密尔顿人
Revisiting semiconductor bulk hamiltonians using quantum computers
论文作者
论文摘要
随着近期量子计算机的出现，可以使用量子算法对固体的性质进行仿真。通过对系统的哈密顿量的充分描述，各种方法可以作为过渡概率获取带状结构和其他基本属性。在这里，我们使用K $ \ cdot $ p Hamiltonians来描述III-V家族的半导体结构，并使用状态向量求解器，概率模拟器和真实的嘈杂设备模拟器获得其带状结构。所得的带结构与通过对汉密尔顿的直接对角线化获得的条带结构非常吻合。仿真时间取决于使用的优化器，电路深度和模拟器。最后，通过优化的本征态，我们传达了带间吸收的概率，证明了使用量子计算机分析晶体系统的基本特性的可能性。
With the advent of near-term quantum computers, the simulation of properties of solids using quantum algorithms becomes possible. By an adequate description of the system's Hamiltonian, variational methods enable to fetch the band structure and other fundamental properties as transition probabilities. Here, we use k$\cdot$p Hamiltonians to describe semiconductor structures of the III-V family and obtain their band structures using a state vector solver, a probabilistic simulator, and a real noisy-device simulator. The resulting band structures are in good agreement with the ones obtained by direct diagonalization of the Hamiltonian. Simulation times depend on the optimizer, circuit depth, and simulator used. Finally, with the optimized eigenstates, we convey the inter-band absorption probability, demonstrating the possibility of analyzing the fundamental properties of crystalline systems using quantum computers.
