电流感生效应的简单方法--金属链中的键弱化
Simple approach to current-induced effects -- bond weakening in metal chains
摘要：
我们提出了一个简单的，第一原理的计划，计算非平衡体系统的力学性质假设一个理想的弹道分布函数的电子状态所描述的外部电压偏置。这使得快速计算的估计电流引起的应力内散装系统进行弹道电流。用Hellmann-Feynman定理计算了应力，并与非平衡自由能的导数相一致。我们说明的理论和目前的结果为一维（1D）金属链。我们发现，屈服应力的敏感性，所施加的电压同意在实验中发现的金属之间的断裂电压的顺序。特别是，金在强电流下被认为是最稳定的，而铝是最不稳定的。
英文摘要：
We present a simple, first principles scheme for calculating mechanical properties of nonequilibrium bulk systems assuming an ideal ballistic distribution function for the electronic states described by the external voltage bias. This allows for fast calculations of estimates of the current-induced stresses inside bulk systems carrying a ballistic current. The stress is calculated using the Hellmann-Feynman theorem, and is in agreement with the derivative of the nonequilibrium free energy. We illustrate the theory and present results for one-dimensional (1D) metal chains. We find that the susceptibility of the yield stress to the applied voltage agrees with the ordering of break voltages among the metals found in experiments. In particular, gold is seen to be the most stable under strong current, while aluminum is the least stable.
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