GOLLUM: a next-generation simulation tool for electron, thermal and spin transport
GOLLUM: a next-generation simulation tool for electron, thermal and spin transport
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DOI：
10.1088/1367-2630/16/9/093029
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发表时间：
2014-09-23
影响因子：
3.3
通讯作者：
Algharagholy, L. A.
中科院分区：
文献类型：
--
作者：
Ferrer, J.;Lambert, C. J.;Algharagholy, L. A.
我们已经开发了一个有效的模拟工具‘Gollum’，用于计算复杂纳米结构的电学、自旋和热输运特性。新的多尺度、多终端工具解决了过去几年纳米级运输中出现的一些新挑战和功能。为了说明Gollum的灵活性和功能性，我们提供了一系列演示计算，包括电荷、自旋和热输运，对密度泛函理论的修正，如局域密度近似+U(LDA+U)和光谱调整，存在非共线磁性的输运，量子霍尔效应，近藤和库仑阻塞效应，有限电压输运，多终端输运，量子泵，超导纳米结构，环境效应，以及机械控制断结实验的拉动曲线和电导直方图。
We have developed an efficient simulation tool 'GOLLUM' for the computation of electrical, spin and thermal transport characteristics of complex nanostructures. The new multi-scale, multi-terminal tool addresses a number of new challenges and functionalities that have emerged in nanoscale-scale transport over the past few years. To illustrate the flexibility and functionality of GOLLUM, we present a range of demonstrator calculations encompassing charge, spin and thermal transport, corrections to density functional theory such as local density approximation + U ( LDA+ U) and spectral adjustments, transport in the presence of non-collinear magnetism, the quantum Hall effect, Kondo and Coulomb blockade effects, finite-voltage transport, multi-terminal transport, quantum pumps, superconducting nanostructures, environmental effects, and pulling curves and conductance histograms for mechanically-controlled break-junction experiments.