Thermal Expansion Behaviors of CdGeAs2 Crystal

doi:10.15541/jim20150232

Abstract

Abstract:

Thermal expansion measurements by WinTA 100 on tetragonal chalcopyrite cadmium germanium arsenide (CdGeAs₂) crystal were carried out in the temperature range between 320 K and 620 K. Based on these measurements, the mechanisms of thermal expansion anisotropy is proposed. It is found that the axial thermal expansion coefficients (α_a and α_c) are both positive, and α_a>>α_c, which exhibits anisotropic thermal behavior intensively. By the least squares method, the functional relationship between structural parameters (a, c) and temperature (T) is set up, which are coincident with published literature. Furthermore, the tetragonal distortion δ=2-c/a, the interatomic distances (l_Cd-As and l_Ge-As) and the bond expansion coefficients (α_Cd-As and α_Ge-As) are calculated at different temperatures, respectively. Simultaneously, it is also found that a, c, δ, l_Cd-As,l_Ge-As, and α_Ge-As increase with temperature increase, while c/a and α_Ge-As are just the opposite. When T=360 K, α_Cd-As is 6.36 times of α_Ge-As. Hence, the difference between α_Cd-As and α_Ge-As is the main reason for the signiﬁcant anisotropy of thermal expansion.

Key words: CdGeAs2, thermal expansion, tetragonal distortion

CLC Number:

O736

ZHEN Zhen, ZHAO Bei-Jun, ZHU Shi-Fu, HE Zhi-Yu, CHEN Bao-Jun, HUANG Wei, PU Yun-Xiao, ZHONG Yi-Kai. Thermal Expansion Behaviors of CdGeAs₂ Crystal[J]. Journal of Inorganic Materials, 2016, 31(2): 165-170.

Figures/Tables 9

Fig. 1 Photograph of CdGeAs2 single crystal

Fig. 2 XRD spectrum of the CdGeAs2 single crystal (a) {100} faces; (b) {001} faces

Fig. 3 Variation of the axial thermal expansion coefﬁcients with temperature for CdGeAs2 (a) αa; (b) αc

Fig. 4 Variation of lattice parameters with temperature for CdGeAs2 (a) Lattice parameter a; (b) Lattice parameter c

Table 1 Lattice parameters of CdGeAs2 at various temperatures

Temperature/℃	Structural parameters
Temperature/℃	a/nm	This work	c/nm	This work	k	This work
25	0.59448	5.9432	1.12126	11.2172	1.8861	1.8874
100	0.59473	5.9467	1.12172	11.2175	1.8861	1.8863
200	0.59542	5.9521	1.12200	11.2179	1.8844	1.8847
300	0.59714	5.9581	1.12244	11.2184	1.8797	1.8829
400	0.59771	5.9648	1.22560	11.2190	1.8781	1.8809
450	0.59798	5.9684	1.12261	11.2194	1.8774	1.8798

Fig. 5 The tetragonal chalcopyrite unit cell for the ternary CdGeAs2 compound

Fig. 6 Variation of tetragonal distortion (δ) with temperature for CdGeAs2

Fig. 7 Variation of bond lengths lCd-As、lGe-As with temperature for CdGeAs2

Fig. 8 Variation of the thermal expansion coefﬁcients αCd-As、αGe-As with temperature for CdGeAs2

References 20

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Thermal Expansion Behaviors of CdGeAs₂ Crystal

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