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Calculation of the Raman frequencies of lattice modes in the disordered phase II of NH4Br at high pressures

机译:高压下NH4Br无序II相晶格模态拉曼频率的计算

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The Raman frequencies are calculated here at various temperatures for the v7(56 cm-1) and v_5 (134 cm~(-1)) lattice modes in the disordered phase II of NH4Br. The lattice parameter data obtained at zero pressure are used to calculate the Raman frequencies of those modes studied for constant pressures of 0.1, 108, and 637.5 MPa in phase II of the NH4Br crystal. Through the mode Gruneisen parameter which is kept constant in the disordered phase II, the Raman frequencies calculated decrease linearly with increasing temperature at all fixed pressures for both lattice modes of NH_4Br. Measurements of the Raman frequencies for the lattice modes of interest can be conducted to examine our calculations under the temperature and pressure variations given here for NH_4Br.2010 Physics Essays Publication.
机译:在NH4Br无序相II的v7(56 cm-1)和v_5(134 cm〜(-1))晶格模式下,在不同温度下计算拉曼频率。在零压力下获得的晶格参数数据用于计算在NH4Br晶体II相中针对0.1、108和637.5 MPa恒定压力研究的那些模式的拉曼频率。通过在无序相II中保持恒定的模式Gruneisen参数,对于所有NH_4Br晶格模式,在所有固定压力下,计算的拉曼频率随温度的升高呈线性下降。可以对感兴趣的晶格模式进行拉曼频率测量,以检查我们在此处给出的NH_4Br.2010 Physics Essays Publication的温度和压力变化下的计算结果。

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