Mott transition in degenerate Hubbard models: Application to doped fullerenes
Mott transition in degenerate Hubbard models: Application to doped fullerenes
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DOI：
10.1103/physrevb.54.r11026
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发表时间：
1996-10-15
影响因子：
3.7
通讯作者：
Martin, RM
中科院分区：
文献类型：
--
作者：
Gunnarsson, O;Koch, E;Martin, RM
用扩散蒙特卡罗方法研究了轨道简并度为N的Hubbard模型的Mott-Hubbard相变。根据一般的讨论，我们推测U/W发生Mott-Hubbard转变类似于根N，其中U是库仑相互作用，W是带宽。这得到了精确对角化和蒙特卡罗计算的支持。掺杂富勒烯的实际参数导致化学计量比A(3)C(60)(A=K，Rb)接近Mott-Hubbard转变，处于关联的金属态。
The Mott-Hubbard transition is studied for a Hubbard model with orbital degeneracy N, using a diffusion Monte Carlo method. Based on general arguments, we conjecture that the Mott-Hubbard transition takes place for U/W similar to root N, where U is the Coulomb interaction and W is the bandwidth. This is supported by exact-diagonalization and Monte Carlo calculations. Realistic parameters for the doped fullerenes lead to the conclusions that stoichiometric A(3)C(60) (A=K, Rb) are near the Mott-Hubbard transition, in a correlated metallic state.