Materials with layered structures. III. The system CoGa2S4CoIn2S4 and the crystal structure of CoGaInS4

Haeuseler, H.; Stork, H.J.; Cordes, W.

doi:10.1016/0022-4596(90)90059-7

Cited by 17 publications

(4 citation statements)

References 6 publications

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“…Many layered Fe‐T sulfides have been synthesized in experiments. While FeGa 2 S 4 and NiGa 2 S 4 are isomorphic with 1:2:4 stoichiometry, for M = V/Cr, noninteger stoichiometric V 0.97 Ga 1.93 S 4 and Cr 0.9 Ga 2 S 4 are reported in Fe‐T structure, and for M = Mn/Co, their quaternary chalcogenides, such as MnGa x Ti 2− x S 4 , CoGa x In 2− x S 4 , and CoGa 2 S x Se 4− x , all exhibit Fe‐T phase under certain x ranges. Some other layered MGa 2 X 4 may exhibit Zn‐T phase, such as ZnIn 2 S 4 and CdIn 2 S 4 .…”

Section: Resultsmentioning

confidence: 99%

Intrinsic Half‐Metallicity in 2D Ternary Chalcogenides with High Critical Temperature and Controllable Magnetization Direction

Zhang

Duan

et al. 2019

Adv Funct Materials

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Searching for 2D ferromagnetic materials with a high critical temperature, large spin polarization, and controllable magnetization direction is a key challenge for their broad applications in spintronics. Here, through a systematic study on a series of 2D ternary chalcogenides with first-principles calculations, it is demonstrated that a family of experimentally available 2D CoGa 2 X 4 (X = S, Se, or Te) are half-metallic ferromagnets, and they exhibit high critical temperature, fully polarized spin state, and strain-dependent magnetization direction simultaneously. Following the Goodenough-Kanamori rules, the half-metallic ferromagnetism of CoGa 2 X 4 family is caused by superexchange interaction mediated by CoXCo bonds. The half-metal gaps are large enough (>0.5 eV) to ensure that the half-metallicity is stable against the spin flipping at room temperature. Magnetocrystalline anisotropy energy calculations indicate that CoGa 2 X 4 favor easy plane magnetization. Under achievable biaxial tensile strain (2-6%), the magnetization directions of CoGa 2 X 4 can change from in-plane to out-of-plane, providing a route to control the efficiency of spin injection/detection. Further, the critical temperatures T c of ferromagnetic phase transition for CoGa 2 X 4 are close to room temperature. Belonging to the big family of layered AB 2 X 4 compounds, the proposed CoGa 2 X 4 systems will enrich the available 2D candidates and their heterojunctions for various applications.

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Section: Resultsmentioning

confidence: 99%

Intrinsic Half‐Metallicity in 2D Ternary Chalcogenides with High Critical Temperature and Controllable Magnetization Direction

Zhang

Duan

et al. 2019

Adv Funct Materials

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“…The starting values for the atomic positions were taken from CoGaInS4 (Haeuseler, Stork and Cordes, 1990). The least squares refinement of the fractional coordinates, the anisotropic thermal parameters, the site occupation factors, and secondary extinction (2.14(4)E-5) Brought to you by | New York University Bobst Library Technical Service Authenticated Download Date | 6/24/15 9:13 PM Table 1.…”

Section: Methodsmentioning

confidence: 99%

Materials with layered structures V: The crystal structure of MnGa₁₆Sc_0.4S₄

Haeuseler¹,

Stork²

1993

Zeitschrift Für Kristallographie - Crystalline Materials

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MnGai. 6 Sc 04 S 4 / Crystal structure of layered materiah / ChakogemdesAbstract. MnGa 1 . 4 Sco. 6 S 4 (trigonal, P3mi, D\ d (no. 164), α = 375.2(1), c = 1222.8(4) pm, V = 0.1491(1) nm 3 , Z = 1, D x = 3.31 Mg m" 3 ) crystallizes in a layered FeGa 2 S 4 -type structure. The octahedral site of the lattice is statistically occupied by 0.6 Sc 3+ and 0.4 Mn 2 + . Gallium and the rest of the manganese is distributed over the tetrahedral sites.

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“…P3m1 Early structure approaches P3m1; later study reports a doubled c axis 7R3m 4.8 LiYMo 3 O 8 de Benedittis & Katz (1965), McCarroll (1977 28525 S35 0.03 < $ Á < $ 0.30 Undetermined P6m2 Assuming O1 is in Wyckoff position 1(c) instead of 1(a), space group likely to be misassigned (8) LiScMo 3 O 8 28526 LiInMo 3 O 8 30579 4.9 -CuI Kurdyumova & 30363 S36(a) ED study gave incorrect unit cell; Baranova (1961) Sakuma (1988) Keen & Hull (1994 84217 S36(b) 0.061 < $ Á < $ 0.92 0.23 < $ u iso < $ 0.44 P6m2 XRD study approaches P6m2; 78429 S36(c) 80230 S36 (d) ND study places -phase in P3m1, with Cu disordered (9) 4.10 BaVO 2.5 de Beaulieu & Mü ller-Buschbaum (1982) 32657 S37 0.02 < $ Á < $ 0.16 0.01 < $ u iso < $ 0.26 P6m2 Space group most likely misassigned; further study advisable (10) 4.11 Na(Cu 0.67 Fe 0.22 -Zn 0.11 ) 2 S 2 Kaplunnik et al (1990) 39255 S38 Á < $ 0.01 0.06 < $ u eq < $ 0.14 P3m1 Space group most likely to be misassigned (11) 4.12 T 0 -Cr 0.68 Se Wehmeier et al (1970) 42703 S39 All Á = 0 Undetermined P3m1 Space group is most likely to be misassigned (12) 4.13 Fe 10 O 14 (OH) 2 Eggleton & Fitzpatrick (1988) 56287 S40 0.12 < $ Á 0.31 Undetermined P3m1 Initial space group most likely misassigned; pair distribution function of total X-ray scattering gives improved fit in P6 3 mc (13) Michel et al (2007) unlisted centrosymmetric 0.08 < $ u iso < $ 10 P6 3 mc 4.14 CoGaInS 4 Depero et al (1991) Haeuseler et al (1990 86413 S41(a) 0.01 < $ Á < $ 0.02 0.13 < $ u iso < $ 0.14 P3m1 The highly likely space-group misassignment is confirmed on origin translation (14) 86414 S41(b) 69015 S41(c) P3m1 Centrosymmetry determined 4.15 LaNdO 1.75 S Kuz'micheva et al…”

Section: Undeterminedmentioning

confidence: 99%

Inorganic structures in space group P3m1; coordinate analysis and systematic prediction of new ferroelectrics

Abrahams

2008

Acta Crystallogr Sect B

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ICSD Release 2007/1 contains 47 families of inorganic crystal structures, some single-member only, within the 311 entries listed under the polar space group P3m1. Coordinate analysis reveals 12 such families to be candidate ferroelectrics, over a range of confidence levels. Selection is based on the detection of an approach to nonpolar supergroup symmetry, within specified limits, by the atomic arrangement as reported in a confirmed polar space group. The primary source of uncertainty in such predictions is the reliability of the underlying structural determination. The candidates include In(2)ZnS(4), TlSn(2)F(5), Cu(7)Te(4), NaMnSe(2), Na(2)In(2)(Mo(3)O(8))(MoO(4))(2), Nb(3)Br(7)S, Nb(3)TeI(7), fencooperite, Bi(HCOO)(3), Li(NpO(2))(CO(3))(H(2)O)(2), LiPtD(0.66) and Ag(3)(MoO(3)F(3))(Ag(3)(MoO(4))Cl). A total of 20 structures examined are likely to be nonpolar, a further 20 have reduced predictive properties and three others are more likely to retain P3m1 symmetry over a wide thermal range. Substantial uncertainties associated with many of the listed 163 CdI(2), 69 ZnS and 10 SiC polytype structures, together with their low potential for use as possible ferroelectrics, led to their exclusion from fuller analysis.

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Materials with layered structures. III. The system CoGa2S4CoIn2S4 and the crystal structure of CoGaInS4

Cited by 17 publications

References 6 publications

Intrinsic Half‐Metallicity in 2D Ternary Chalcogenides with High Critical Temperature and Controllable Magnetization Direction

Intrinsic Half‐Metallicity in 2D Ternary Chalcogenides with High Critical Temperature and Controllable Magnetization Direction

Materials with layered structures V: The crystal structure of MnGa₁₆Sc_0.4S₄

Inorganic structures in space group P3m1; coordinate analysis and systematic prediction of new ferroelectrics

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Materials with layered structures. III. The system CoGa2S4CoIn2S4 and the crystal structure of CoGaInS4

Cited by 17 publications

References 6 publications

Intrinsic Half‐Metallicity in 2D Ternary Chalcogenides with High Critical Temperature and Controllable Magnetization Direction

Intrinsic Half‐Metallicity in 2D Ternary Chalcogenides with High Critical Temperature and Controllable Magnetization Direction

Materials with layered structures V: The crystal structure of MnGa16Sc0.4S4

Inorganic structures in space group P3m1; coordinate analysis and systematic prediction of new ferroelectrics

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Materials with layered structures V: The crystal structure of MnGa₁₆Sc_0.4S₄