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rigid-ion
相关语句
  刚性离
     The Gruneisen parameter and its pressure dependence for NaCl are calculated by using the rigid-ion model.
     本文利用刚性离子模型计算了NaCl的Grneisen参数及其随压力的变化。
短句来源
     The lattice vibrations at Brillouin zone centter of tetragonal La2-xMxCuO4 have been studied using rigid-ion model and the model parameters derived from the experimental data of Raman and IR spertroscopy,Predicting the soft-mode observed by R.
     本文采用刚性离子模型,利用远红外和啦曼光谱的实验结果,确定模型中的参量,研究了正方结构 La_(2-x)M_xCuO_4Γ点的晶格振动. 预言 R.
短句来源
  相似匹配句对
     Movement of Rigid Body
     刚体的运动
短句来源
     On Equilibrium of Rigid Body
     刚体平衡问题再研究
短句来源
     ②rigid fixation;
     ②固定牢固;
短句来源
     ②rigid fixation;
     ②坚强的内固定 ;
短句来源
     Rigid-Body Collisions with Friction
     具有摩擦的刚体碰撞
短句来源
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  rigid-ion
It is shown on the basis of the adiabatic perturbation theory that the matrix element in the theory of conduction in metals has a unique form consistent with the rigid-ion model.
      
The dispersion curves of PbTiO3 in both tetragonal (ferroelectric) and cubic (paraelectric) phases are calculated using the rigid-ion model with a small set of parameters.
      
This behavior is investigated by lattice-dynamical calculations using an 11-parameter rigid-ion model.
      
The rigid-ion potential RIM (atomic charges:zO= -0.995e,zC = 0.985e,zCa = 2.0e) fitted to calcite properties is able to account for those of aragonite as well.
      
Calcite and aragonite have been modeled using rigid-ion, two-body Born-type potentials, supplemented by O-C-O angular terms inside the CO3 groups.
      
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The Gruneisen parameter and its pressure dependence for NaCl are calculated by using the rigid-ion model. In the calculation a new form of potential energy, which has been used previously to successfully calculate the equation of state of NaCl, is adopted as follows. Two forms of modified Born-Mayer Potential are used as the functional forms of the repulsive energy between the nearest neighbor ions. And the effects of the interaction between next neighbor ions and the correlation energy are also taken...

The Gruneisen parameter and its pressure dependence for NaCl are calculated by using the rigid-ion model. In the calculation a new form of potential energy, which has been used previously to successfully calculate the equation of state of NaCl, is adopted as follows. Two forms of modified Born-Mayer Potential are used as the functional forms of the repulsive energy between the nearest neighbor ions. And the effects of the interaction between next neighbor ions and the correlation energy are also taken into account by using the data from the electronic gas model . The agreement of our results with the experimental data is satisfactory.

本文利用刚性离子模型计算了NaCl的Grneisen参数及其随压力的变化。计算中,使用了我们以前成功地计算了状态方程的离子势:对最近邻排斥势分别使用了两种形式的修正的Born-Mayer势,并利用电子气理论的计算结果处理了次近邻排斥势和关联势的影响。所得到的结果与实验符合的程度是令人满意的。

The lattice vibrations at Brillouin zone centter of tetragonal La2-xMxCuO4 have been studied using rigid-ion model and the model parameters derived from the experimental data of Raman and IR spertroscopy,Predicting the soft-mode observed by R.J.Birgeneau belongs to E9 symmetry at Γpoint.The polycrystal average acoustic velocity has been calculated using an effective method.

本文采用刚性离子模型,利用远红外和啦曼光谱的实验结果,确定模型中的参量,研究了正方结构 La_(2-x)M_xCuO_4Γ点的晶格振动.预言 R.J.Birgeneau 等观测到的软模,在Γ点具有 E_g 对称性.并用一种有效的方法,计算了多晶材料的平均声速.

A shell model is used to study the lattice dynamics of the ferroelectric bariumtitanate crystal in the tetragonal phase. The polarization of the oxygen ions is considered to beanisotropic. The parameters of our model was obtained by fitting experimental date of thefrequencies of zone-center phonons. The phonon dispersion curves and the density of states werecomputed.The strong coupling between the acoustic and the low-frequency optic modes in thelong-wavelength region is involved in the calculation of the elastic...

A shell model is used to study the lattice dynamics of the ferroelectric bariumtitanate crystal in the tetragonal phase. The polarization of the oxygen ions is considered to beanisotropic. The parameters of our model was obtained by fitting experimental date of thefrequencies of zone-center phonons. The phonon dispersion curves and the density of states werecomputed.The strong coupling between the acoustic and the low-frequency optic modes in thelong-wavelength region is involved in the calculation of the elastic constants of this piezoelectriccrystal.It is shown that the results of the shell model is better than that of the rigid ion model.

建立了四方相钛酸钡铁电晶体的晶格动力学壳层模型,氧离子的极化是各向异性的,模型的参数值由拟合Г点的声子谱实验数据确定.计算了声子色散关系,态密度和晶体的弹性常数,在弹性常数计算中计及了压电体中声子谱长波区域内声学模和低频光学模的耦合.计算结果比刚性离子模型有明显的改善.

 
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