Crystal Growth of Quaternary Rare Earth Selenosilicates by Using the Flux-Assisted Boron Chalcogen Mixture Method: Investigation of Their Magnetic and Optical Properties

Kashem, Habiba Binte; Panigrahi, Gopabandhu; Morrison, Gregory; Gabilondo, Eric A.; Halasyamani, P. Shiv; Wisesa, Pandu; Besmann, Theodore M.; zur Loye, Hans-Conrad

doi:10.1021/acs.cgd.5c00186

Title: Crystal Growth of Quaternary Rare Earth Selenosilicates by Using the Flux-Assisted Boron Chalcogen Mixture Method: Investigation of Their Magnetic and Optical Properties

Journal Article · Mon May 19 00:00:00 UTC 2025 · Crystal Growth and Design

DOI: https://doi.org/10.1021/acs.cgd.5c00186 · OSTI ID:3015619

Kashem, Habiba Binte ^[1]; Panigrahi, Gopabandhu ^[1];

^[1];

^[2];

^[2]; Wisesa, Pandu ^[1]; Besmann, Theodore M. ^[1];

^[1]

University of South Carolina, Columbia, SC (United States)
University of Houston, TX (United States)

A series of rare earth magnesium selenosilicates, RE3Mg_0.5SiSe₇ (RE = Ce, Pr, Nd, Sm, Gd, Tb, Dy) were obtained as single crystal using the flux assisted boron chalcogen mixture (BCM) method. The structures of the crystals were determined by single-crystal X-ray diffraction. The RE3Mg_0.5SiSe₇ series crystallizes in the hexagonal crystal system in the space group P6₃. Polycrystalline powders were synthesized to perform physical property measurements. Magnetic measurements over the 2–300 K temperature range reveal that Ce₃Mg_0.5SiSe₇ and Gd₃Mg_0.5SiSe₇ exhibit paramagnetic behavior with negative Weiss constants (θ_W = −14.50, θ_W = −6.13 K, respectively). The optical properties of RE₃Mg_0.5SiSe₇ (RE = Ce, Pr, Nd, Sm, Gd) were measured by ultraviolet–visible (UV–vis) diffuse reflectance. Density functional theory (DFT) electronic structure calculations were performed. Furthermore, a second harmonic generation measurement was performed on a polycrystalline powder of Ce₃Mg_0.5SiSe₇ and was found to be SHG active with an efficiency of 0.11 times the standard potassium dihydrogen phosphate (KDP).

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Research Organization:: University of South Carolina, Columbia, SC (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); Welch Foundation

Grant/Contract Number:: SC0018739

OSTI ID:: 3015619

Journal Information:: Crystal Growth and Design, Journal Name: Crystal Growth and Design Journal Issue: 11 Vol. 25; ISSN 1528-7505; ISSN 1528-7483

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
BCM method
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Flux crystal growth
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Nonlinear optics
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Title: Crystal Growth of Quaternary Rare Earth Selenosilicates by Using the Flux-Assisted Boron Chalcogen Mixture Method: Investigation of Their Magnetic and Optical Properties

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