Composition Dependence of the Structural Properties of Cd

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Composition Dependence of the Structural Properties of Cd

_1−x

Co

_x

Ga

₂

Se

₄

Mixed Crystals

Hyun-Woong Park · Yang-June Jung · Chang-Dae Kim

^∗

Department of Physics, Mokpo National University, Mokpo 58554, Korea

Moon-Seog Jin

Department of Ophthalmic Optics, Dongshin University, Naju 58245, Korea (Received 17 July 2015 : revised 1 September 2015 : accepted 1 September 2015)

This work presents the results for the composition-dependent structural properties of Cd1−xCoxGa2Se4 mixed crystals grown by using a melt technique in the composition region of 0.0 ≤ x ≤ 0.5. The crystal structure was found to be the tetragonal structure of defect chalcopyrite for the composition region of 0.0 ≤ x ≤ 0.5. The composition dependences of the lattice constants showed linear relations of a = 5.7375 - 0.115x and c = 10.7775 + 0.125x, which satisfies Vegard’s law. The tetragonal distortion (2 − c/a) showed a composition dependence that decreased with increasing composition x, which supports semiempirical correlations with the electronegativities of the constituent atoms. The composition dependence of the tetragonal distortion was also shown to be consistent with the composition-dependent behavior of the Se atomic coordinate and the nearest-neighbor bonding distance between the cation atoms and the anion ones.

PACS numbers: 61.10.Nz, 61.66.Dk

Keywords: Cd1−xCoxGa2Se4, Crystal structure, Composition dependence

Cd

_1−x

Co

_x

Ga

₂

Se

₄

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^∗

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o :£¤$í`¦ 0.0 ≤ x ≤ 0.5 %ò%i\"f ¸ %i. &ñ½¨¸H¸$í 0.0 ≤ x ≤ 0.5_ %ò%i\

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This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/3.0) which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.

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950 New Physics: Sae Mulli, Vol. 65, No. 10, October 2015

PACS numbers: 61.10.Nz, 61.66.Dk

Keywords: Cd1−xCoxGa2Se4, &ñ½¨¸, ¸$í _>r$í

I. " e Â ] Ø

Cd1−xCoxGa2Se4H ¸^ o½+ËÓütÐ"f CdGa²Se4ü<

CoGa2Se4Ð sÀÒ#Q ¦6 x ^o½+ËÓütìøÍ¸^s. ¸^

o½+ËÓüt_ CdGa 2Se4H AB2X4(A = Zn, Cd, Hg, B = In, Ga, Al, X = S, Se, Te)+þA "é¶ o½+ËÓüt ìøÍ¸

^

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@

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½

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± ú

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[1–6].

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¸ôÇ Ér ¸^ o½+ËÓtü CoGa₂Se₄H TB2X₄ (T = Co, Fe, Mn, B = In, Ga, X = S, Se, O)+þA_ Ð"f s

FK5Åq Co\¦¨$½í"é¶èÐ í<Ê ¦ eH ÓüÉr$í ìøÍ

¸^\ 5ÅqôÇ [7–10].

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H ÅÒÐ Cd1−xMn_xGa₂Se₄ [11–13], Cd_1−xMn_xGa₂S₄ [14, 15], Cd1−xCoxGa2S4 [16, 17], Cd1−xCoxIn2Se4

[18], Cd_1−xCo_xIn₂S₄ [19], Zn_1−xCo_xIn₂S₄ [20–23],

∗E-mail: [email protected]

CdGa_2(1−x)Cr_2xSe₄ [24] 1px\ @/K"f sÀÒ#Q4R etëß Ø

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Fig. 1. X-ray diffraction patterns of Cd_1−xCo_xGa₂Se₄ (0.0 ≤ x ≤ 0.5) crystal powders.

2. Cd_1−xCo_xGa₂Se₄ÇXs+NË8ý XRD ¤XNË

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Fig. 2. Composition dependence of the X-ray diffraction peak for the (112) plane in the X-ray diffraction patterns of Cd1−xCoxGa2Se4(0.0 ≤ x ≤ 0.5) crystal powders.

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A\¦sÀÒ¦, ¢¸ôÇ yy_ Se"é¶H Cd"é¶ (¢¸H Co"é¶

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Table 1. Various values of lattice constants, tetragonal distortion and atomic coordinate for Cd_1−xCo_xGa₂Se₄(0.0 ≤ x ≤ 0.5) crystals.

Composition Structure

Lattice

2η u R_Cd(Co)−Se RGa−Se

(x)

Constants

(=c/a) a (˚A) c (˚A)

0.0 defect chal. 5.744 10.784 1.877 0.281 2.5490 2.3348

0.1 defect chal. 5.726 10.790 1.884 0.279 2.5369 2.3361

0.3 defect chal. 5.691 10.820 1.901 0.275 2.5118 2.3426

0.5 defect chal. 5.680 10.840 1.908 0.273 2.5030 2.3469

Fig. 3. Composition dependence of lattice constants a and c for Cd1−xCoxGa2Se4 (0.0 ≤ x ≤ 0.5) crystals.

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Fig. 5. (Color online) Composition dependence of Se atom coordinate u for Cd1−xCoxGa2Se4(0.0 ≤ x ≤ 0.5) crystals.

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(6)

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Tiginyanu, Sov. Phys. Semicond. 19, 121 (1985).

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Composition Dependence of the Structural Properties of Cd