Center for Solid State Physics and New Materials, Institute of Physics Belgrade, University of Belgrade, Pregrevica 118, 11080 Belgrade, Serbia.
J Phys Condens Matter. 2012 Jun 27;24(25):255402. doi: 10.1088/0953-8984/24/25/255402. Epub 2012 May 28.
The lattice dynamics of FeSb(2) is investigated by first-principles density functional theory calculations and Raman spectroscopy. All Raman- and infrared-active phonon modes are properly assigned. The calculated and measured phonon energies are in good agreement. We have observed strong mixing of the A(g) symmetry modes, with the intensity exchange in the temperature range 210 and 260 K. The A(g) mode repulsion increases by doping FeSb(2) with Co, with no signatures of the electron-phonon interaction for these modes.
采用第一性原理密度泛函理论计算和拉曼光谱研究了 FeSb(2) 的晶格动力学。所有拉曼和红外活性声子模式都得到了正确的归属。计算和测量的声子能量吻合较好。我们观察到 A(g) 对称模式的强烈混合，在 210 和 260 K 的温度范围内发生强度交换。在 Co 掺杂 FeSb(2)时，A(g) 模式的排斥作用增强，这些模式没有电子-声子相互作用的迹象。
