Vibrational, mechanical and thermodynamical properties of RE2Ti2O7 (RE = Sm, Gd, Dy, Ho, Er and Yb) pyrochlores

被引：5
|
作者：
Kushwaha, A. K. [1 ]
机构：
[1] Kashi Naresh Govt PG Coll, Dept Phys, Bhadohi 221304, Uttar Pradesh, India
来源：
INTERNATIONAL JOURNAL OF MODERN PHYSICS B | 2017年 / 31卷 / 21期
关键词：
Magnetic materials; mechanical properties; thermal conductivity; THERMAL-CONDUCTIVITY; ELASTIC PROPERTIES; 1ST PRINCIPLES; ELECTRONIC-STRUCTURES; DIELECTRIC-PROPERTIES; OPTICAL-PROPERTIES; A(2)TI(2)O(7); STABILITY; TITANATES; DY2TI2O7;
D O I：
10.1142/S0217979217501454
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
Vibrational, mechanical, thermodynamical properties and thermal conductivities of RE2Ti2O7 (RE = Sm, Gd, Dy, Ho, Er and Yb) pyrochlores have been calculated using a proposed eight -parameter bond-bending force constant model. The main outcome of present calculation is that the first neighbor interaction (Ti-O) is stronger than the second neighbor interactions (RE-O). This means that the bonding between Ti and O is more ionic than the one between RE and O. It is also found that the bond strength of RE-O and the bulk modulus decrease in the sequence Sm > Gd > Dy > Ho > Er > Yb. The bulk moduli and Young's moduli of RE2Ti2O7 also decrease when RE changes from Sm to Yb.
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页数：12
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