Anisotropic nuclear inelastic scattering of an iron(II) molecular crystal.
Anisotropic nuclear inelastic scattering of an iron(II) molecular crystal.
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铁 (II) 分子晶体的各向异性核非弹性散射。
DOI：
10.1103/physrevlett.86.1351
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发表时间：
2001
影响因子：
8.6
通讯作者：
A. Trautwein
中科院分区：
文献类型：
--
作者：
H. Paulsen;R. Benda;C. Herta;V. Schünemann;A. Chumakov;L. Duelund;H. Winkler;H. Toftlund;A. Trautwein
记录了自旋交叉配合物[Fe(TptMetame)](ClO(4))(2)(tptMetame=1，1，1-tris([N-(2-pyridylmethyl)-N-methylamino]-methyl)ethane))在T=30K(低自旋态)和室温(高自旋态)下不同晶向的核非弹性散射光谱。高能量分辨率(0.65 meV)使我们能够解析通过密度泛函计算明确识别的单个分子振动。首次从NIS谱中提取了角分辨铁偏振态密度(PDOS)。PDOS证实了振动熵差是自旋转变的驱动力。
Nuclear inelastic scattering (NIS) spectra were recorded for a monocrystal of the spin-crossover complex [Fe(tptMetame)] (ClO (4))(2) (tptMetame = 1,1,1-tris([N-(2-pyridylmethyl)-N-methylamino]-methyl)ethane) at T = 30 K (low-spin state) and at room temperature (high-spin state) for different crystal orientations. The high energy resolution (0.65 meV) allowed us to resolve individual molecular vibrations which were unambiguously identified by density functional calculations. From the NIS spectra for the first time the angular-resolved iron-partial density of phonon states (PDOS) was extracted. The PDOS corroborates a vibrational entropy difference as driving force of the spin transition.