Pressure- and temperature-induced M_3 phonon softening in ReO_3

Tapan Chatterji; P. G. Freeman; M. Jimenez-Ruiz; R. Mittal; S. L. Chaplot

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Pressure- and temperature-induced M_3 phonon softening in ReO_3

机译：ReO_3中压力和温度引起的M_3声子软化

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We have investigated the temperature and pressure variation of the M_3 phonon mode of ReO_3 by inelastic neutron scattering on a single crystal. The energy of the M_3 phonon mode decreases with decreasing temperature contrary to the normal hardening behavior. The energy of this mode also decreases with increasing pressure and tends to zero at about 3.5 kbar at T= 150 K. The M_3 mode softening drives the pressure-induced phase transition in ReO_3. The temperature-induced softening of the M_3 mode on lowering the temperature can be understood from the known negative thermal-expansion behavior and also from the fact that the high-pressure phase can also be approached at ambient pressure by cooling. In order to understand theM_3 phonon softening in ReO_3 we have done lattice-dynamical calculations that support the qualitative arguments given above.

机译：我们已经通过单晶上的非弹性中子散射研究了ReO_3的M_3声子模的温度和压力变化。与正常的硬化行为相反，M_3声子模式的能量随温度降低而降低。该模式的能量也随着压力的增加而降低，并且在T = 150 K时在约3.5 kbar时趋于零。M_3模式软化驱动ReO_3中压力引起的相变。可以从已知的负热膨胀特性以及在环境压力下也可以通过冷却接近高压相这一事实来理解在降低温度时温度引起的M_3模式的软化。为了了解ReO_3中的M_3声子软化，我们进行了晶格动力学计算，以支持上述定性参数。

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来源
《Physical review》 |2009年第18期|323-327|共5页
作者
Tapan Chatterji; P. G. Freeman; M. Jimenez-Ruiz; R. Mittal; S. L. Chaplot;
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作者单位

Juelich Centre for Neutron Science, Forschungszentrum Juelich Outstation at Institut Laue-Langevin, BP 156, 38042 Grenoble Cedex 9, France;

Inxtitut Laue-Langevin, BP 156, 38042 Grenoble Cedex 9, France;

Inxtitut Laue-Langevin, BP 156, 38042 Grenoble Cedex 9, France;

Juelich Centre for Neutron Science, Forschungszentrum Juelich, C/O TU Muenchen, Lichtenbergstrasse 1, D-85747 Garching, Germany Solid State Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085, India;

Solid State Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085, India;

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正文语种 eng
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thermal expansion; thermomechanical effects;

机译：热膨胀;热力学效应;

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Pressure- and temperature-induced M_3 phonon softening in ReO_3

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