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Laser-Assisted Floating Zone Growth of BaFe_{2}S_{3} Large-Sized Ferromagnetic-Impurity-Free Single Crystals

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## Abstract

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## 1. Introduction

## 2. Materials and Methods

## 3. Results

## 4. Conclusions

## Author Contributions

## Funding

## Data Availability Statement

## Acknowledgments

## Conflicts of Interest

## References

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**Figure 3.**(

**a**) As-grown ingot of BaFe${}_{2}$S${}_{3}$. The scale is in cm. The dotted lines indicate the cuts corresponding to (

**b**) the longitudinal section of the seeding and (

**c**) the cross-section of the end portion. The images in (

**b**,

**c**) were obtained using polarized light.

**Figure 5.**(

**a**) Powder X-ray diffraction patterns and Rietveld refinements for precursor and LFZ samples. The data are shifted vertically for clarity. (

**b**) Rocking curve of an LFZ-grown crystal for the (711) reflection. (

**c**) Laue pattern for an LFZ-grown single crystal. The c direction (horizontal in the image) is ∼10° away from the growth direction.

**Figure 6.**(

**a**) Temperature dependence of the magnetization divided by the magnetic field for precursor and LFZ crystals measured with an applied magnetic field of ${\mu}_{0}H$ = 5 T parallel to the c-axis. The dots show the slope of $M\left(H\right)$ for ${\mu}_{0}H$ ≥ 3 T, the color and symbol indicate the sample as defined in (

**b**). ${T}_{N}$ indicates the Néel temperature defined as the minimum in the derivative, $\frac{\mathrm{d}M}{\mathrm{d}T}{|}_{\mathrm{min}}$. (

**b**) Field dependence of the magnetization for two independent growths of both precursor and LFZ samples for T = 250 K. Inset: Low field region of M vs. H for the same samples of the main panel.

**Figure 7.**Normalized resistivity (left axis) and derivative of the logarithm of the resistivity (right axis) as a function of the inverse temperature for precursor and LFZ crystals. The Néel temperature and ${T}^{*}$ are indicated with arrows in dln$\rho $/d(1/T). The fitted thermally activated behavior for the LFZ crystal and the 1D variable range hopping for the precursor are presented as black continuous lines.

**Table 1.**Average composition of the precursor and the end-part of the ingot (LFZ) in at%. The standard deviation is indicated in parenthesis.

Ba | Fe | S | |
---|---|---|---|

Precursor | 17.2(1) | 32.9(3) | 49.9(4) |

LFZ | 17.16(4) | 32.79(6) | 50.05(9) |

**Table 2.**Details on data collection and structure refinement of a LFZ crystal as determined from single crystal X-ray diffraction.

Crystal Data | Data Collection | Refinement | |||
---|---|---|---|---|---|

Temperature (K) | 295 | 2 ${\theta}_{max}$ (°) | 62.93 | N${}_{parameters}$ | 21 |

Space group | Cmcm | Absorption correction | Multiscan | R${}_{1}>4\sigma $ (%) | 1.46 |

a (Å) | 8.7757(3) | T${}_{min}$ | 0.5834 | R${}_{1}$ all (%) | 1.86 |

b (Å) | 11.2248(4) | T${}_{max}$ | 0.7462 | wR${}_{2}>4\sigma $ (%) | 3.13 |

c (Å) | 5.2831(2) | N${}_{measured}$ | 5807 | wR${}_{2}$ all (%) | 3.25 |

Z | 4 | N${}_{independent}$ | 499 | G.O.F | 1.140 |

M${}_{r}$ | 345.17 | R${}_{int}$ (%) | 2.93 | $\Delta {\rho}_{min}$ (e·A${}^{-3}$) | −0.865 |

${\rho}_{calc}$ (g·cm${}^{-3}$) | 4.406 | $\Delta {\rho}_{max}$ (e·A${}^{-3}$) | 0.889 | ||

μ (mm${}^{-1}$) | 14.009 | weight w (a,b) | 0.0160 | ||

0.4559 |

**Table 3.**Fractional atomic coordinates, equivalent isotropic displacement parameters, and occupation factors of a LFZ single crystal at 295 K.

Atom | Site | x | y | z | U${}_{\mathit{e}\mathit{q}}$(Å${}^{2}$) | Occupancy |
---|---|---|---|---|---|---|

Ba | 4c | 0.5 | 0.18632(2) | 0.25 | 0.01854(8) | 1 |

Fe | 8e | 0.34635(4) | 0.5 | 0 | 0.01115(9) | 1.000(2) |

S${}_{1}$ | 4c | 0.5 | 0.61569(8) | 0.25 | 0.0115(2) | 1 |

S${}_{2}$ | 8g | 0.20762(8) | 0.37821(7) | 0.25 | 0.0194(2) | 1 |

Atom | U${}_{11}$ | U${}_{22}$ | U${}_{33}$ | U${}_{23}$ | U${}_{13}$ | U${}_{12}$ |
---|---|---|---|---|---|---|

Ba | 0.0187(1) | 0.0231(1) | 0.0138(1) | 0 | 0 | 0 |

Fe | 0.0098(2) | 0.0162(2) | 0.0074(2) | 0.00003(14) | 0 | 0 |

S${}_{1}$ | 0.0118(3) | 0.0133(4) | 0.0093(4) | 0 | 0 | 0 |

S${}_{2}$ | 0.0188(3) | 0.0280(3) | 0.0113(3) | 0 | 0 | −0.0124(3) |

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**MDPI and ACS Style**

Amigó, M.L.; Maljuk, A.; Manna, K.; Stahl, Q.; Felser, C.; Hess, C.; Wolter, A.U.B.; Geck, J.; Seiro, S.; Büchner, B.
Laser-Assisted Floating Zone Growth of BaFe_{2}S_{3} Large-Sized Ferromagnetic-Impurity-Free Single Crystals. *Crystals* **2021**, *11*, 758.
https://doi.org/10.3390/cryst11070758

**AMA Style**

Amigó ML, Maljuk A, Manna K, Stahl Q, Felser C, Hess C, Wolter AUB, Geck J, Seiro S, Büchner B.
Laser-Assisted Floating Zone Growth of BaFe_{2}S_{3} Large-Sized Ferromagnetic-Impurity-Free Single Crystals. *Crystals*. 2021; 11(7):758.
https://doi.org/10.3390/cryst11070758

**Chicago/Turabian Style**

Amigó, Maria Lourdes, Andrey Maljuk, Kaustuv Manna, Quirin Stahl, Claudia Felser, Christian Hess, Anja U.B. Wolter, Jochen Geck, Silvia Seiro, and Bernd Büchner.
2021. "Laser-Assisted Floating Zone Growth of BaFe_{2}S_{3} Large-Sized Ferromagnetic-Impurity-Free Single Crystals" *Crystals* 11, no. 7: 758.
https://doi.org/10.3390/cryst11070758