Coherent phonon decay and the boron isotope effect for MgB2

被引:15
作者
Alarco, Jose A. [1 ,2 ]
Talbot, Peter C. [1 ,2 ]
Mackinnon, Ian D. R. [1 ]
机构
[1] Queensland Univ Technol, Inst Future Environm, Brisbane, Qld 4001, Australia
[2] Queensland Univ Technol, Fac Sci & Engn, Brisbane, Qld 4001, Australia
关键词
SUPERCONDUCTIVITY;
D O I
10.1039/c4cp04114c
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Ab initio DFT calculations for the phonon dispersion (PD) and the phonon density of states (PDOS) of the two isotopic forms (B-10 and B-11) of MgB2 demonstrate that use of a reduced symmetry super-lattice provides an improved approximation to the dynamical, phonon-distorted P6/mmm crystal structure. Construction of phonon frequency plots using calculated values for these isotopic forms gives linear trends with integer multiples of a base frequency that change in slope in a manner consistent with the isotope effect (IE). Spectral parameters inferred from this method are similar to that determined experimentally for the pure isotopic forms of MgB2. Comparison with AlB2 demonstrates that a coherent phonon decay down to acoustic modes is not possible for this metal. Coherent acoustic phonon decay may be an important contributor to superconductivity for MgB2.
引用
收藏
页码:25386 / 25392
页数:7
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