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Synthesis and Crystal Structure of Three New Quaternary Compounds in the system Cu-Mn-III-Se3 (III = Al, Ga, In)

Abstract

Chalcogenide alloys CuMnAlSe3, CuMnGaSe3 and CuMnInSe3, new members of the semiconductor system I-II-III-VI3, were synthetized and structurally characterized by the Rietveld method using X-ray powder diffraction data. All compounds crystallize in the tetragonal space group P4 2c (Nº 112) with a CuFeInSe3-type structure.

Keywords:
Chalcogenides; Semiconductors; Chemical synthesis; X-ray powder diffraction; Structural characterization


1. Introduction

The Cu-III-Se2 (III= Al, Ga, In) ternary chalcopyrite family have been object of a great quantity of work in the last years, because they form an wide group of semiconductor materials with diverse optical and electrical properties11 Shay JL, Wernik JH. Ternary Chalcopyrite Semiconductors: Growth, Electronic Properties and Applications. Oxford: Pergamon Press; 1974.. These materials crystallize with tetragonal symmetry in the space group I4 2d (N°122), and the addition of a Fe-Se binary compound produces alloys of the type (Cu-III-Se2)1-x (FeSe)x22 Parthé E. Wurtzite and Zinc-Blende Structures. In: Westbrook JH, Fleischer RL, eds. Intermetallic Compounds, Principles and Practices. Volume 1. Chichester: John Wiley & Sons; 1995.. Some previous results on the formation, structural characterization, thermal and magnetic properties on these alloys with compositions Cu-Fe-III-Se3 (x = ½), Cu-Fe2-III-Se4 (x = ⅔) and Cu2-Fe-III-Se5 (x = ⅓) have been reported33 Grima-Gallardo P, Ruiz J. X‐Rays and DTA of CuFeGaSe3 and CuFeInSe3 Quaternary Compounds. Physica Status Solidi (a). 1999;173(2):283-288. DOI: 0.1002/(SICI)1521-396X(199906)173:2<283::AID-PSSA283>3.0.CO;2-I
https://doi.org/0.1002/(SICI)1521-396X(1...

4 Grima-Gallardo P, Cárdenas K, Quintero M, Ruiz J, Delgado GE. X-ray diffraction studies on (CuAlSe2)X (FeSe)1-X alloys. Materials Research Bulletin. 2001;36(5-6):861-866. DOI: 10.1016/S0025-5408(01)00546-3
https://doi.org/10.1016/S0025-5408(01)00...

5 Grima-Gallardo P, Cárdenas K, Molina L, Quintero M, Ruiz J, Delgado GE, et al. A comparative Study of (Cu-III-Se2)X-(FeSe)1-X Alloys (III : Al, Ga, In) (0 ≤ x ≤ 1) by X-Ray Diffraction, Differencial Thermal Analysis and Scanning Electron Microscopy. Physica Status Solidi (a). 2001;187(2):395-406. DOI: 10.1002/1521-396X(200110)187:2<395::AID-PSSA395>3.0.CO;2-2
https://doi.org/10.1002/1521-396X(200110...

6 Mora AJ, Delgado GE, Grima-Gallardo P. Crystal structure of CuFeInSe3 from X-ray powder diffraction data. Physica Status Solidi (a). 2007;204(2):547-554. DOI: 10.1002/pssa.200622395
https://doi.org/10.1002/pssa.200622395...

7 Grima-Gallardo P, Muñoz-Pinto M, Durán-Piña S, Delgado GE, Quintero M, Briceño JM, et al. Preparation and investigation (Cu-III-Se2)1-X(NbSe)X alloys (III: Ga, In) with x = ½. Physica Status Solidi (a). 2007;204(4):1093-1099. DOI: 10.1002/pssa.200622568
https://doi.org/10.1002/pssa.200622568...

8 Grima-Gallardo P, Muñoz M, Durán S, Delgado GE, Quintero M, Ruiz J. Preparation and investigation of the quaternary alloy CuTaInSe3. Materials Research Bulletin. 2007;42(12):2067-2071. DOI: 10.1016/j.materresbull.2007.02.003
https://doi.org/10.1016/j.materresbull.2...

9 Delgado GE, Mora AJ, Grima-Gallardo P, Quintero M. Crystal structure of CuFe2InSe4 from X-ray powder diffraction. Journal of Alloys and Compounds. 2008;454(1-2):306-309. DOI: 10.1016/j.jallcom.2006.12.057
https://doi.org/10.1016/j.jallcom.2006.1...

10 Delgado GE, Mora AJ, Grima-Gallardo P, Muñoz M, Duran S, Quintero M. Crystal structure of the quaternary compound CuTa2InTe4 from X-ray powder diffraction. Physica B: Condensed Matter. 2008;403(18):3228-3230. DOI: 10.1016/j.physb.2008.04.022
https://doi.org/10.1016/j.physb.2008.04....

11 Delgado GE, Mora AJ, Grima-Gallardo P, Durán S, Muñoz M, Quintero M. Crystal structure of the quaternary alloy CuTaInSe3. Crystal Research & Technology. 2008;43(7):783-785. DOI: 10.1002/crat.200711154
https://doi.org/10.1002/crat.200711154...

12 Delgado GE, Mora AJ, Contreras JE, Grima-Gallardo P, Durán S, Muñoz M, et al. Crystal structure characterization of the quaternary compounds CuFeAlSe3 and CuFeGaSe3. Crystal Research & Technology. 2009;44(5):548-552. DOI: 10.1002/crat.200800596
https://doi.org/10.1002/crat.200800596...

13 Delgado GE, Mora AJ, Grima-Gallardo P, Durán S, Muñoz M, Quintero M. Preparation and crystal structure characterization of CuNiGaSe3 and CuNiInSe3 quaternary compounds. Bulletin of Materials Science. 2010;33(5):637-640. DOI: 10.1007/s12034-010-0097-6
https://doi.org/10.1007/s12034-010-0097-...

14 Delgado GE, Mora AJ, Grima-Gallardo P, Muñoz M, Durán S, Quintero M, et al. Crystal structure of the quaternary compounds CuFe2AlSe4 and CuFe2GaSe4 from X-ray powder diffraction. Bulletin of Materials Science. 2015;38(4):1061-1064. DOI: 10.1007/s12034-015-0933-9
https://doi.org/10.1007/s12034-015-0933-...
-1515 Grima-Gallardo P, Torres S, Quintero M, Nieves L, Moreno E, Delgado GE. Phase Diagram of (CuInSe2)1-X(FeSe)X alloys. Journal of Alloys and Compounds. 2015;630:146-150. DOI: 10.1016/j.jallcom.2015.01.015
https://doi.org/10.1016/j.jallcom.2015.0...
. All these phases fulfill the rules of formation of adamantane compounds22 Parthé E. Wurtzite and Zinc-Blende Structures. In: Westbrook JH, Fleischer RL, eds. Intermetallic Compounds, Principles and Practices. Volume 1. Chichester: John Wiley & Sons; 1995. and belong to the normal semiconductor compound families of the third, fourth and fifth-order derivatives of the II-VI binary semiconductors, respectively1616 Delgado JM. Crystal chemistry of diamond-like and other derivative semiconducting compounds. Journal of Physics Conference Series. 1998;152:45-50.. Adamantane compounds are binary, ternary or quaternary normal tetrahedral structure compounds which are closely related to either cubic or hexagonal diamond.

The first crystal structure characterization of one I-II-III-VI3 semiconductor member, CuFeInSe3, indicated a degradation of symmetry from the chalcopyrite structure I42d to a related structure P42c66 Mora AJ, Delgado GE, Grima-Gallardo P. Crystal structure of CuFeInSe3 from X-ray powder diffraction data. Physica Status Solidi (a). 2007;204(2):547-554. DOI: 10.1002/pssa.200622395
https://doi.org/10.1002/pssa.200622395...
. In this work, we report a detailed synthesis and structural analysis of three new members of this family; CuMnAlSe3, CuMnGaSe3 and CuMnInSe3, which was performed using X-ray powder diffraction by means of the Rietveld method.

2. Experimental Procedures

2.1 Synthesis

Ingots of Cu-Mn-III-Se3 (III= Al, Ga, In) were prepared by the melt and annealing technique. Starting materials (Cu, Mn, Al, Ga, In and Se), with a nominal purity of at least 99.99 % (GoodFellow) in the stoichiometric ratio, were mixed together in an evacuated and sealed quartz tube with inner walls previously carbonized. Polycrystalline ingots of about 1 g were prepared by the usual melting and annealing technique, lowering the temperature from 1500 to 850 K at a rate of 20 K/h, keeping this temperature for 30 days, and finally, cooling to room temperature at a rate of 10 K/h. Previous experience indicates that this procedure usually gives samples showing conditions corresponding to equilibrium near room temperature.

2.2 Chemical analysis

Compositional analysis of the ingots was determined at several points by energy dispersive X-ray (EDX) analysis using a Kevex Model Delta-3 system connected to a Hitachi Model S-2500 scanning electron microscope (SEM). In each case, the average chemical composition of the central part of the ingot from which the crystals were cut, gave the atomic percentage in good agreement with the ideal composition 1:1:1:3 The error in standardless analysis was around 5 %.

2.3 X-ray powder diffraction

For the X-ray analysis, small quantities of the samples were ground mechanically in an agate mortar and pestle. The resulting fine powders, sieved to 106µ, were mounted on a flat zero-background holder covered with a thin layer of petroleum jelly. The X-ray powder diffraction data were collected at 293(1) K, in θ/θ reflection mode using a Siemens D5005 diffractometer equipped with an X-ray tube (CuKα radiation: λ= 1.54056 Å; 40kV, 30mA) using a secondary beam graphite monochromator. A fixed aperture and divergence slit of 1 mm, a 1 mm monochromator slit, and a 0.1 mm detector slit were used. The specimens were scanned from 10°-100° 2θ, with a step size of 0.02° and counting time of 40s. Quartz was used as an external standard.

3. Results and Discussion

The X-ray diffractograms of three alloys Cu-Mn-III-Se3 (III= Al, Ga, In) showed single phases. The powder patterns were indexed using the program Dicvol041717 Boultif A, Louër D. Powder pattern indexing with the dichotomy method. Journal of Applied Crystallography. 2004;37:724-731. DOI: 10.1107/S00218898 04014876
https://doi.org/10.1107/S00218898...
, and tetragonal cells with similar magnitudes to the parent chalcopyrite structures, CuAlSe21818 Hahn H, Frank G, Klingler W, Meyer AD, Störger G. Untersuchungen über ternäre Chalkogenide. V. Über einige ternäre Chalkogenide mit Chalkopyritstruktur. Zeitschrift für anorganische und allgemeine Chemie. 1953;271(3-4):153-170. DOI: 10.1002/zaac.19532710307
https://doi.org/10.1002/zaac.19532710307...
, CuGaSe21919 Mandel L, Tomlinson RD, Hampshire MJ. Crystal data for CuGaSe2. Journal of Applied Crystallography. 1977;10:130-131. DOI: 10.1107/S0021889877013065
https://doi.org/10.1107/S002188987701306...
, CuInSe22020 Knight KS. The crystal structures of CuInSe2 and CuInTe2. Materials Research Bulletin. 1992;27(2):161-167. DOI: 10.1016/0025-5408(92)90209-I
https://doi.org/10.1016/0025-5408(92)902...
were founds. Systematic absences are consistent with a P-type Bravais lattice. A detailed pattern examination taking in account the sample composition, cell parameters and lattice-type, suggested that all compounds are isostructural with previously reported CuFeInSe366 Mora AJ, Delgado GE, Grima-Gallardo P. Crystal structure of CuFeInSe3 from X-ray powder diffraction data. Physica Status Solidi (a). 2007;204(2):547-554. DOI: 10.1002/pssa.200622395
https://doi.org/10.1002/pssa.200622395...
which crystallizes in the space group P42c.

The Rietveld refinements2121 Rietveld HM. A profile refinement method for nuclear and magnetic structures. Journal of Applied Crystallography. 1969;2:65-71. DOI : 10.1107/S0021889869006558
https://doi.org/10.1107/S002188986900655...
of the structures were carried out using the Fullprof program2222 Rodríguez-Carvajal J. Recent advances in magnetic structure determination by neutron powder diffraction. Physica B: Condensed Matter. 1993;192(1-2):55-69. DOI: 10.1016/0921-4526(93)90108-I
https://doi.org/10.1016/0921-4526(93)901...
. The atomic coordinates of CuFeInSe366 Mora AJ, Delgado GE, Grima-Gallardo P. Crystal structure of CuFeInSe3 from X-ray powder diffraction data. Physica Status Solidi (a). 2007;204(2):547-554. DOI: 10.1002/pssa.200622395
https://doi.org/10.1002/pssa.200622395...
were used as starting model for each refinement. The angular dependence of the peak full width at half maximum (FWHM) was described by the Caglioti's formula2323 Cagliotti G, Paoletti A, Ricci FP. Choice of collimators for a crystal spectrometer for neutron diffraction. Nuclear Instruments. 1958;3(4):223-228. DOI: 10.1016/0369-643X(58)90029-X
https://doi.org/10.1016/0369-643X(58)900...
. Peak shapes were described by the parameterized Thompson-Cox-Hastings pseudo-Voigt profile function2424 Thompson P, Cox DE, Hastings JB. Rietveld refinement of Debye-Scherrer synchrotron X-ray data from Al2O3. Journal of Applied Crystallography. 1987;20:79-83. DOI: 10.1107/S0021889887087090
https://doi.org/10.1107/S002188988708709...
. The background variation was described by a polynomial with six coefficients. The thermal motion of the atoms was described by one overall isotropic temperature factor. The results of the Rietveld refinement for the three alloys are summarizes in Table 1. Fig. 1 shows the observed, calculated and difference profile for the final cycle of Rietveld refinements. Atomic coordinates, isotropic temperature factor, bond distances and angles for each compound are shown in Tables 2, 3 and 4.

Table 1
Rietveld refinement results for the alloys CuMnAlSe3, CuMnGaSe3 and CuMnInSe3.

Figure 1
Rietveld final plots of a) CuMnAlSe3, b) CuMnGaSe3 and c) CuMnInSe3. The lower curve represents the difference between observed and calculated patterns. The Bragg reflections are indicated by vertical bars.

Table 2
Atomic coordinates, isotropic temperature factors, bond distances (Å) and angles (º) for CuMnAlSe3, derived from the Rietveld refinement.
Table 3
Atomic coordinates, isotropic temperature factors, bond distances (Å) and angles (º) for CuMnGaSe3, derived from the Rietveld refinement.
Table 4
Atomic coordinates, isotropic temperature factors, bond distances (Å) and angles (º) for CuMnInSe3, derived from the Rietveld refinement.

CuMnAlSe3, CuMnGaSe3 and CuMnInSe3 are normal adamantane-structure compounds22 Parthé E. Wurtzite and Zinc-Blende Structures. In: Westbrook JH, Fleischer RL, eds. Intermetallic Compounds, Principles and Practices. Volume 1. Chichester: John Wiley & Sons; 1995., where occurs a degradation of symmetry from the chalcopyrite structure I42d to a related structure P42c. This situation can be clearly seen in Fig. 2 where a comparison is made between the chalcopyrite Cu-III-Se2 I42d structure and the P42c structure of Cu-Mn-III-Se3 (III= Al, Ga, In). Therefore, in the quaternary structures, the introduction of an additional cation (Mn) produces an effect of "dilution" of this cation in the chalcopyrite structure leaving the cell volume almost unchanged66 Mora AJ, Delgado GE, Grima-Gallardo P. Crystal structure of CuFeInSe3 from X-ray powder diffraction data. Physica Status Solidi (a). 2007;204(2):547-554. DOI: 10.1002/pssa.200622395
https://doi.org/10.1002/pssa.200622395...
. Table 5 show a comparison between the unit cell parameters and the bond distances for the three phases of both families of compounds.

Figure 2
Unit cell diagram for the chalcopyrite Cu-III-Se2 compared to the Cu-Mn-III-Se3 compounds.

Table 5
Comparative table of unit cell parameters and bond distances for the Cu-III-Se2 chalcopyrite compounds and the related Cu-Mn-III-Se3 alloys (III= Al Ga, In). ([*] = this work).

The structure of the tetragonal phases Cu-Mn-III-Se3 can be described as derivative of the sphalerite structure22 Parthé E. Wurtzite and Zinc-Blende Structures. In: Westbrook JH, Fleischer RL, eds. Intermetallic Compounds, Principles and Practices. Volume 1. Chichester: John Wiley & Sons; 1995.. In this structure the Se atoms form a close-packed arrangement where each anion is coordinated by four cations located at the corners of a slightly distorted tetrahedron. All cations are similarly coordinated by four anions. Fig. 3 shows a polyhedral view of the crystal structure with four types of atoms-centered tetrahedra MS4 [CuS4, MnS4, IIIS4 and (CuInMn)S4] where all polyhedra are oriented in the same direction and are connected by the corners.

An important structural characteristic of the compounds under study is the parameter of tetragonal lattice distortion, which is determined as a deviation of the ratio η = c/2a (a and c are unit-cell parameters) from unity2525 Rodulfo de Gil E. Ternary semiconducting compounds with chalcopyrite-type structure: I. Fundamental equation and its physically acceptable solutions. Physica Status Solidi (a). 1982;70(2):519-523. DOI: 10.1002/pssa.2210700220
https://doi.org/10.1002/pssa.2210700220...
. The Table 5 contains the a, c, and η values for the Cu-Mn-III-Se3 compounds. One can see that η is close to unity for all compositions, which is indicative of small lattice distortions in the samples synthesized.

Figure 3
Polyhedral view of the Cu-Mn-III-Se3 structures showing tetrahedral units.

The Cu-Se, Mn-Se and III (Al,Ga,In)-Se bond distances in all compounds (Tables 2, 3 and 4) are in good agreement with those observed in the parent chalcopyrite structures (Table 5) and other quaternary adamantane structure compounds such as CuFe(Al,Ga,In)Se366 Mora AJ, Delgado GE, Grima-Gallardo P. Crystal structure of CuFeInSe3 from X-ray powder diffraction data. Physica Status Solidi (a). 2007;204(2):547-554. DOI: 10.1002/pssa.200622395
https://doi.org/10.1002/pssa.200622395...
,1212 Delgado GE, Mora AJ, Contreras JE, Grima-Gallardo P, Durán S, Muñoz M, et al. Crystal structure characterization of the quaternary compounds CuFeAlSe3 and CuFeGaSe3. Crystal Research & Technology. 2009;44(5):548-552. DOI: 10.1002/crat.200800596
https://doi.org/10.1002/crat.200800596...
, CuNi(Ga,In)Se31313 Delgado GE, Mora AJ, Grima-Gallardo P, Durán S, Muñoz M, Quintero M. Preparation and crystal structure characterization of CuNiGaSe3 and CuNiInSe3 quaternary compounds. Bulletin of Materials Science. 2010;33(5):637-640. DOI: 10.1007/s12034-010-0097-6
https://doi.org/10.1007/s12034-010-0097-...
, CuFe2(Al,Ga,In)Se499 Delgado GE, Mora AJ, Grima-Gallardo P, Quintero M. Crystal structure of CuFe2InSe4 from X-ray powder diffraction. Journal of Alloys and Compounds. 2008;454(1-2):306-309. DOI: 10.1016/j.jallcom.2006.12.057
https://doi.org/10.1016/j.jallcom.2006.1...
,1414 Delgado GE, Mora AJ, Grima-Gallardo P, Muñoz M, Durán S, Quintero M, et al. Crystal structure of the quaternary compounds CuFe2AlSe4 and CuFe2GaSe4 from X-ray powder diffraction. Bulletin of Materials Science. 2015;38(4):1061-1064. DOI: 10.1007/s12034-015-0933-9
https://doi.org/10.1007/s12034-015-0933-...
, Cu2FeSnSe42626 Roque-Infante E, Delgado JM, López-Rivera SA. Synthesis and crystal structure of Cu2FeSnSe4, a I2 II IV VI4 semiconductor. Materials Letters. 1997;33(1-2):67-70. DOI: 10.1016/S0167-577X(97)00079-7
https://doi.org/10.1016/S0167-577X(97)00...
, Cu2ZnGeSe42727 Parasyuk OV, Gulay LD, Romanyuk YE, Piskach LV. Phase diagram of the Cu2GeSe3-ZnSe system and crystal structure of the Cu2ZnGeSe4 compound. Journal of Alloys and Compounds. 2001;329(1-2):202-207. DOI: 10.1016/S0925-8388(01)01606-1
https://doi.org/10.1016/S0925-8388(01)01...
, Cu2ZnSnSe42828 Olekseyuk ID, Gulay LD, Dydchak IV, Piskach LV, Parasyuk OV, Marchuk OV. Single crystal preparation and crystal structure of the Cu2Zn/Cd,Hg/SnSe4 compounds. Journal of Alloys and Compounds. 2002;340(1-2):141-145. DOI: 10.1016/S0925-8388(02)00006-3
https://doi.org/10.1016/S0925-8388(02)00...
, Cu2(Cd,Mn)GeSe42929 Delgado GE, Quintero E, Tovar R, Quintero M. X-ray powder diffraction study of the semiconducting alloy Cu2Cd0.5Mn0.5GeSe4. Crystal Research & Technology. 2004;39(9):807-810. DOI: 10.1002/crat.200310257
https://doi.org/10.1002/crat.200310257...
and CuGaMnSe23030 Delgado GE, Villegas JL, Silva P, Sagredo V. Structural characterization of the diluted magnetic semiconductor CuGa(1-x)Mn(x)Se2. Chalcogenide Letters. 2009;6(7):293-298..

4. Conclusions

The crystal structure of the semiconductor compounds CuMnAlSe3, CuMnGaSe3 and CuMnInSe3 were determined using X-ray powder diffraction data. All compounds crystallize in the tetragonal space group P42c, with a sphalerite derivative structure, and are isomorphic with CuFeInSe3.

5. Acknowledgements

This work was supported by CDCHT-ULA (Grant C-1740-11-05-AA and C-1885-14-05-B) and FONACIT (Grants LAB-97000821, PEII-1697 and project Nº 2011001341).

6. References

  • 1
    Shay JL, Wernik JH. Ternary Chalcopyrite Semiconductors: Growth, Electronic Properties and Applications Oxford: Pergamon Press; 1974.
  • 2
    Parthé E. Wurtzite and Zinc-Blende Structures. In: Westbrook JH, Fleischer RL, eds. Intermetallic Compounds, Principles and Practices Volume 1. Chichester: John Wiley & Sons; 1995.
  • 3
    Grima-Gallardo P, Ruiz J. X‐Rays and DTA of CuFeGaSe3 and CuFeInSe3 Quaternary Compounds. Physica Status Solidi (a) 1999;173(2):283-288. DOI: 0.1002/(SICI)1521-396X(199906)173:2<283::AID-PSSA283>3.0.CO;2-I
    » https://doi.org/0.1002/(SICI)1521-396X(199906)173:2<283::AID-PSSA283>3.0.CO;2-I
  • 4
    Grima-Gallardo P, Cárdenas K, Quintero M, Ruiz J, Delgado GE. X-ray diffraction studies on (CuAlSe2)X (FeSe)1-X alloys. Materials Research Bulletin 2001;36(5-6):861-866. DOI: 10.1016/S0025-5408(01)00546-3
    » https://doi.org/10.1016/S0025-5408(01)00546-3
  • 5
    Grima-Gallardo P, Cárdenas K, Molina L, Quintero M, Ruiz J, Delgado GE, et al. A comparative Study of (Cu-III-Se2)X-(FeSe)1-X Alloys (III : Al, Ga, In) (0 ≤ x ≤ 1) by X-Ray Diffraction, Differencial Thermal Analysis and Scanning Electron Microscopy. Physica Status Solidi (a) 2001;187(2):395-406. DOI: 10.1002/1521-396X(200110)187:2<395::AID-PSSA395>3.0.CO;2-2
    » https://doi.org/10.1002/1521-396X(200110)187:2<395::AID-PSSA395>3.0.CO;2-2
  • 6
    Mora AJ, Delgado GE, Grima-Gallardo P. Crystal structure of CuFeInSe3 from X-ray powder diffraction data. Physica Status Solidi (a) 2007;204(2):547-554. DOI: 10.1002/pssa.200622395
    » https://doi.org/10.1002/pssa.200622395
  • 7
    Grima-Gallardo P, Muñoz-Pinto M, Durán-Piña S, Delgado GE, Quintero M, Briceño JM, et al. Preparation and investigation (Cu-III-Se2)1-X(NbSe)X alloys (III: Ga, In) with x = ½. Physica Status Solidi (a) 2007;204(4):1093-1099. DOI: 10.1002/pssa.200622568
    » https://doi.org/10.1002/pssa.200622568
  • 8
    Grima-Gallardo P, Muñoz M, Durán S, Delgado GE, Quintero M, Ruiz J. Preparation and investigation of the quaternary alloy CuTaInSe3 Materials Research Bulletin 2007;42(12):2067-2071. DOI: 10.1016/j.materresbull.2007.02.003
    » https://doi.org/10.1016/j.materresbull.2007.02.003
  • 9
    Delgado GE, Mora AJ, Grima-Gallardo P, Quintero M. Crystal structure of CuFe2InSe4 from X-ray powder diffraction. Journal of Alloys and Compounds 2008;454(1-2):306-309. DOI: 10.1016/j.jallcom.2006.12.057
    » https://doi.org/10.1016/j.jallcom.2006.12.057
  • 10
    Delgado GE, Mora AJ, Grima-Gallardo P, Muñoz M, Duran S, Quintero M. Crystal structure of the quaternary compound CuTa2InTe4 from X-ray powder diffraction. Physica B: Condensed Matter 2008;403(18):3228-3230. DOI: 10.1016/j.physb.2008.04.022
    » https://doi.org/10.1016/j.physb.2008.04.022
  • 11
    Delgado GE, Mora AJ, Grima-Gallardo P, Durán S, Muñoz M, Quintero M. Crystal structure of the quaternary alloy CuTaInSe3 Crystal Research & Technology 2008;43(7):783-785. DOI: 10.1002/crat.200711154
    » https://doi.org/10.1002/crat.200711154
  • 12
    Delgado GE, Mora AJ, Contreras JE, Grima-Gallardo P, Durán S, Muñoz M, et al. Crystal structure characterization of the quaternary compounds CuFeAlSe3 and CuFeGaSe3 Crystal Research & Technology 2009;44(5):548-552. DOI: 10.1002/crat.200800596
    » https://doi.org/10.1002/crat.200800596
  • 13
    Delgado GE, Mora AJ, Grima-Gallardo P, Durán S, Muñoz M, Quintero M. Preparation and crystal structure characterization of CuNiGaSe3 and CuNiInSe3 quaternary compounds. Bulletin of Materials Science 2010;33(5):637-640. DOI: 10.1007/s12034-010-0097-6
    » https://doi.org/10.1007/s12034-010-0097-6
  • 14
    Delgado GE, Mora AJ, Grima-Gallardo P, Muñoz M, Durán S, Quintero M, et al. Crystal structure of the quaternary compounds CuFe2AlSe4 and CuFe2GaSe4 from X-ray powder diffraction. Bulletin of Materials Science 2015;38(4):1061-1064. DOI: 10.1007/s12034-015-0933-9
    » https://doi.org/10.1007/s12034-015-0933-9
  • 15
    Grima-Gallardo P, Torres S, Quintero M, Nieves L, Moreno E, Delgado GE. Phase Diagram of (CuInSe2)1-X(FeSe)X alloys. Journal of Alloys and Compounds 2015;630:146-150. DOI: 10.1016/j.jallcom.2015.01.015
    » https://doi.org/10.1016/j.jallcom.2015.01.015
  • 16
    Delgado JM. Crystal chemistry of diamond-like and other derivative semiconducting compounds. Journal of Physics Conference Series 1998;152:45-50.
  • 17
    Boultif A, Louër D. Powder pattern indexing with the dichotomy method. Journal of Applied Crystallography 2004;37:724-731. DOI: 10.1107/S00218898 04014876
    » https://doi.org/10.1107/S00218898
  • 18
    Hahn H, Frank G, Klingler W, Meyer AD, Störger G. Untersuchungen über ternäre Chalkogenide. V. Über einige ternäre Chalkogenide mit Chalkopyritstruktur. Zeitschrift für anorganische und allgemeine Chemie 1953;271(3-4):153-170. DOI: 10.1002/zaac.19532710307
    » https://doi.org/10.1002/zaac.19532710307
  • 19
    Mandel L, Tomlinson RD, Hampshire MJ. Crystal data for CuGaSe2 Journal of Applied Crystallography 1977;10:130-131. DOI: 10.1107/S0021889877013065
    » https://doi.org/10.1107/S0021889877013065
  • 20
    Knight KS. The crystal structures of CuInSe2 and CuInTe2 Materials Research Bulletin 1992;27(2):161-167. DOI: 10.1016/0025-5408(92)90209-I
    » https://doi.org/10.1016/0025-5408(92)90209-I
  • 21
    Rietveld HM. A profile refinement method for nuclear and magnetic structures. Journal of Applied Crystallography 1969;2:65-71. DOI : 10.1107/S0021889869006558
    » https://doi.org/10.1107/S0021889869006558
  • 22
    Rodríguez-Carvajal J. Recent advances in magnetic structure determination by neutron powder diffraction. Physica B: Condensed Matter 1993;192(1-2):55-69. DOI: 10.1016/0921-4526(93)90108-I
    » https://doi.org/10.1016/0921-4526(93)90108-I
  • 23
    Cagliotti G, Paoletti A, Ricci FP. Choice of collimators for a crystal spectrometer for neutron diffraction. Nuclear Instruments 1958;3(4):223-228. DOI: 10.1016/0369-643X(58)90029-X
    » https://doi.org/10.1016/0369-643X(58)90029-X
  • 24
    Thompson P, Cox DE, Hastings JB. Rietveld refinement of Debye-Scherrer synchrotron X-ray data from Al2O3 Journal of Applied Crystallography 1987;20:79-83. DOI: 10.1107/S0021889887087090
    » https://doi.org/10.1107/S0021889887087090
  • 25
    Rodulfo de Gil E. Ternary semiconducting compounds with chalcopyrite-type structure: I. Fundamental equation and its physically acceptable solutions. Physica Status Solidi (a) 1982;70(2):519-523. DOI: 10.1002/pssa.2210700220
    » https://doi.org/10.1002/pssa.2210700220
  • 26
    Roque-Infante E, Delgado JM, López-Rivera SA. Synthesis and crystal structure of Cu2FeSnSe4, a I2 II IV VI4 semiconductor. Materials Letters 1997;33(1-2):67-70. DOI: 10.1016/S0167-577X(97)00079-7
    » https://doi.org/10.1016/S0167-577X(97)00079-7
  • 27
    Parasyuk OV, Gulay LD, Romanyuk YE, Piskach LV. Phase diagram of the Cu2GeSe3-ZnSe system and crystal structure of the Cu2ZnGeSe4 compound. Journal of Alloys and Compounds 2001;329(1-2):202-207. DOI: 10.1016/S0925-8388(01)01606-1
    » https://doi.org/10.1016/S0925-8388(01)01606-1
  • 28
    Olekseyuk ID, Gulay LD, Dydchak IV, Piskach LV, Parasyuk OV, Marchuk OV. Single crystal preparation and crystal structure of the Cu2Zn/Cd,Hg/SnSe4 compounds. Journal of Alloys and Compounds 2002;340(1-2):141-145. DOI: 10.1016/S0925-8388(02)00006-3
    » https://doi.org/10.1016/S0925-8388(02)00006-3
  • 29
    Delgado GE, Quintero E, Tovar R, Quintero M. X-ray powder diffraction study of the semiconducting alloy Cu2Cd0.5Mn0.5GeSe4 Crystal Research & Technology 2004;39(9):807-810. DOI: 10.1002/crat.200310257
    » https://doi.org/10.1002/crat.200310257
  • 30
    Delgado GE, Villegas JL, Silva P, Sagredo V. Structural characterization of the diluted magnetic semiconductor CuGa(1-x)Mn(x)Se2 Chalcogenide Letters 2009;6(7):293-298.

Publication Dates

  • Publication in this collection
    2018

History

  • Received
    03 Oct 2016
  • Reviewed
    27 Nov 2017
  • Accepted
    28 Dec 2017
ABM, ABC, ABPol UFSCar - Dep. de Engenharia de Materiais, Rod. Washington Luiz, km 235, 13565-905 - São Carlos - SP- Brasil. Tel (55 16) 3351-9487 - São Carlos - SP - Brazil
E-mail: pessan@ufscar.br