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An approximate scheme to determine the vibratory density of states in a quasi-harmonic solid

机译:确定拟谐固体中状态振动密度的近似方案

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摘要

In a new and realistic conception of solids, an analytical approach is presented to find the phonon density of states in a quasi-harmonic one-dimensional solid by starting from the fact that a solid with strong interatomic forces can be regarded as an atomic array of quantum anharmonic oscillators under a Morse potential. In fact, our quasi-harmonic approximation is derived by assuming a large enough solid with an involved anharmonic parameter as a sufficiently small quantity. In this context, a mathematical relationship between the above parameter and the matrix element relative to oscillator's strength is obtained.
机译:在一个新的,现实的固体概念中,从具有强原子间力的固体可以看作是原子的原子阵列这一事实出发,提出了一种分析方法来找到准谐波一维固体中的声子密度。莫尔斯电势下的量子非谐振荡器。实际上,我们的准谐波近似是通过假设一个足够大的固体以及一个涉及到的非谐参数足够小而得出的。在这种情况下,获得了上述参数和矩阵元素之间相对于振荡器强度的数学关系。

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