First-Principles Study of the Magnetic and Electronic Structure of NdB4

Tao, Pengyan; Ma, Jiehua; Li, Shujing; Shao, Xin; Wang, Bao-Tian

doi:10.3390/ma16072627

Cited by 3 publications

(1 citation statement)

References 42 publications

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“…Composite ceramics of RB 6 and RB 4 have been proposed to be used as a new type of high-performance electromagnetic wave-absorbing material that could help to diminish interference and electromagnetic pollution [16]. Also, their good thermal conductivity, resistance to oxidation, and hardness make them suitable for use as coatings for cutting tools, turbine blades, and other high-wear components, as well as for high-temperature applications [17].…”

Section: Introductionmentioning

confidence: 99%

Anomalous Ferromagnetic Phase in the Gd1−xErxB4 Series: Crystal Growth, Thermal, and Magnetic Properties

et al. 2023

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Rare-earth tetraborides RB4 are of great interest due to the occurrence of geometric magnetic frustration and corresponding unusual magnetic properties. While the Gd3+ spins in GdB4 align along the ab plane, Er3+ spins in the isomorphic ErB4 are confined to the c–axis. The magnetization in the latter exhibits a plateau at the midpoint of the saturation magnetization. Therefore, solid solutions of (Gd, Er)B4 provide an excellent playground for exploring the intricate magnetic behavior in these compounds. Single crystals of Gd1−xErxB4 (x = 0, 0.2, and 0.4) were grown in aluminum flux. X-ray diffraction scans revealed single-phase materials, and a drop in the unit cell volume with increasing Er content, suggesting the partial substitution of Er at the Gd sites. Heat capacity measurements indicated a systematic decrease of the Néel temperature (TN) with increasing Er content. The effective magnetic moment determined from the magnetization measurement agreed with the calculated free ion values for Gd3+ and Er3+, providing further evidence for the successful substitution of Er for Gd. The partial substitution resulted in an anomalous ferromagnetic phase below TN, exhibiting significant anisotropy, predominantly along the c-axis. This intriguing behavior merits further studies of the magnetism in the Gd1−xErxB4 borides.

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Section: Introductionmentioning

confidence: 99%

Anomalous Ferromagnetic Phase in the Gd1−xErxB4 Series: Crystal Growth, Thermal, and Magnetic Properties

et al. 2023

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Mechanochemical Synthesis and Characterization of Nanostructured ErB₄ and NdB₄ Rare‐Earth Tetraborides

Boztemur,

Kaya,

Derin

et al. 2024

Adv Eng Mater

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Rare‐earth borides have become very popular in recent decades with high mechanical strength, melting point, good corrosion, wear, and magnetic behavior. However, the production of these borides is very challenging and unique. The production of ErB4 and NdB4 nanopowders via mechanochemical synthesis (MCS) is reported in this study first time in the literature. Er2O3 or Nd2O3, B2O3, and Mg initial powders are mechanically alloyed for different milling times to optimize the process. Rare‐earth borides with MgO phases are synthesized, then MgO is removed with HCl acid. The nanostructured rare‐earth tetraboride powders are analyzed using X‐ray diffraction (XRD). Based on the XRD, ErB4 powders are produced successfully at the end of the 5 h milling. However, the NdB4 phase does not occur as the stoichiometric ratio, so the B2O3 amount is decreased to nearly 35 wt%. When the amount of B2O3 is decreased to 20 wt%, NdB4 and NdB6 phases are 50:50 according to the Rietveld analysis. However, a homogenous NdB4 phase is obtained with 30 wt% loss of B2O3. The average particle sizes of ErB4 and NdB4 powders are nearly 100.4 and 85.6 nm, respectively. The rare‐earth tetraborides exhibit antiferromagnetic‐to‐paramagnetic‐like phase transitions at 18 and 8.53 K, respectively.

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Anomalous Ferromagnetic Phase in the Gd1-xErxB4 Series: Crystal Growth, Thermal and Magnetic Properties

Masunaga¹,

Barbeta²,

Abud³

et al. 2023

Preprint

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Rare-earth tetraborides RB4 are of great interest due to the occurrence of geometric magnetic frustration and corresponding unusual magnetic properties. While the Gd3+ spins in GdB4 align along the ab plane, Er3+ spins in the isomorphic ErB4 are confined to the c–axis. The magnetization in the latter exhibits a plateau at the midpoint of the saturation magnetization. Therefore, solid solutions of (Gd, Er)B4 provide an excellent playground for exploring the intricate magnetic behavior in these compounds. Single crystals of Gd(1-x)Erx B4 (x = 0, 0.2, and 0.4) were grown in aluminum flux. X-ray diffraction scans revealed single phase materials, and a drop in the unit cell volume with increasing Er content, suggesting the partial substitution of Er at the Gd sites. Heat capacity measurements indicated a systematic decrease of the Néel temperature (TN) with increasing Er content. The effective magnetic moment determined from the magnetization measurement agreed with the calculated free-ion values for Gd3+ and Er3+, providing further evidence for the successful substitution of Er for Gd. The partial substitution resulted in an anomalous ferromagnetic phase below TN, exhibiting significant anisotropy, predominantly along the c-axis. This intriguing behavior merits further studies of the magnetism in the Gd(1-x)ErxB4 borides.

show abstract

First-Principles Study of the Magnetic and Electronic Structure of NdB4

Cited by 3 publications

References 42 publications

Anomalous Ferromagnetic Phase in the Gd1−xErxB4 Series: Crystal Growth, Thermal, and Magnetic Properties

Anomalous Ferromagnetic Phase in the Gd1−xErxB4 Series: Crystal Growth, Thermal, and Magnetic Properties

Mechanochemical Synthesis and Characterization of Nanostructured ErB₄ and NdB₄ Rare‐Earth Tetraborides

Anomalous Ferromagnetic Phase in the Gd1-xErxB4 Series: Crystal Growth, Thermal and Magnetic Properties

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First-Principles Study of the Magnetic and Electronic Structure of NdB4

Cited by 3 publications

References 42 publications

Anomalous Ferromagnetic Phase in the Gd1−xErxB4 Series: Crystal Growth, Thermal, and Magnetic Properties

Anomalous Ferromagnetic Phase in the Gd1−xErxB4 Series: Crystal Growth, Thermal, and Magnetic Properties

Mechanochemical Synthesis and Characterization of Nanostructured ErB4 and NdB4 Rare‐Earth Tetraborides

Anomalous Ferromagnetic Phase in the Gd1-xErxB4 Series: Crystal Growth, Thermal and Magnetic Properties

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Mechanochemical Synthesis and Characterization of Nanostructured ErB₄ and NdB₄ Rare‐Earth Tetraborides