First principles study of ferroelectric hexagonal compounds RInO<sub>3</sub>(R = Dy, Er, and Ho): electronic structure, optical and dielectric properties

Yu, Yifei; Lin, Na; Wang, Haoyuan; Xu, Ran; Ren, Hao; Zhao, Xian

doi:10.1039/c9ra07920c

Cited by 7 publications

(2 citation statements)

References 32 publications

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“…EuInO 3 forms indirect band gap crystals, and the band gap is calculated to be 2.48 eV. The band gap of EuInO 3 is larger than those of DyInO 3 (1.90 eV), HoInO 3 (1.85 eV), and ErInO 3 (1.80 eV), 43 which indicates that the band gap increases with the decrease of the atomic number.…”

Section: Band Structure Calculationsmentioning

confidence: 96%

Novel Geometric Ferroelectric EuInO₃ Single Crystals with Topological Vortex Domains

Zhou

et al. 2023

Crystal Growth & Design

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RInO 3 (R: rare-earth element) has drawn unprecedented research attention due to its geometric ferroelectricity and spin liquid state. However, the structure−property relationship needs further investigation based on well-developed single crystals. A EuInO 3 crystal was obtained for the first time by the laser floating zone method. The presence of ferroelectricity was revealed by polarization−electric field hysteresis loops of the bulk EuInO 3 single crystal. Moreover, interesting topological vortex domains were revealed by vertical piezoresponse force microscopy. The lattice dynamics of EuInO 3 was probed by correlating various Raman modes with the structural distortion of the unit cell. The improper ferroelectricity and topological ferroelectric vortices of the EuInO 3 crystal provide great potential for vortex memory devices.

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Section: Band Structure Calculationsmentioning

confidence: 96%

Novel Geometric Ferroelectric EuInO₃ Single Crystals with Topological Vortex Domains

Zhou

et al. 2023

Crystal Growth & Design

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“…Mn 3+ ion can be replaced with the nontransition metal In 3+ ion. The resulting rare earth indates RInO 3 have triggered research interests owing to geometric ferroelectricity [18][19][20][21] and the quantum spin liquid (QSL)-like behaviors [22][23][24][25]. GdInO 3 has the so-called centered honeycomb lattice structure (P6 3 cm space group), which is the same hexagonal structure as the QSL candidate TbInO 3 and is characteristic of the RInO 3 family.…”

Section: Introductionmentioning

confidence: 99%

Magnetic properties of the quasi two-dimensional centered honeycomb antiferromagnet GdInO$_3$

Yin,

Li,

Wang

et al. 2021

Preprint

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The crystal structure and magnetic property of the single crystalline hexagonal rare-earth indium oxides GdInO 3 have been studied by combing experiments and model calculations. The two inequivalent Gd 3+ ions form the centered honeycomb lattice, which consists of honeycomb and triangular sublattices. The dc magnetic susceptibility and specific heat measurements suggest two antiferromagnetic phase transitions at T N1 = 2.3 K and T N2 = 1.02 K. An inflection point is observed in the isothermal magnetization curve, which implies an upup-down phase with a 1/3 magnetization plateau. We also observe a large magnetic entropy change originated from the magnetic frustration in GdInO 3 . By considering a classical spin Hamiltonian, we establish the ground state phase diagram, which suggests that GdInO 3 has a weak easy-axis anisotropy and is close to the equilateral triangular-lattice system. The theoretical ground-state phase diagram may be used as a reference in NMR, ESR, or µSR experiments in future.

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Effect of cations on the structural, optoelectronic, and thermoelectric properties of AMg2N2 (A = Yb, Sm, Eu) Zintl compounds; An ab-initio study

Usman,

Khan,

Khan

et al. 2025

Materials Science in Semiconductor Processing

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First principles study of ferroelectric hexagonal compounds RInO₃(R = Dy, Er, and Ho): electronic structure, optical and dielectric properties

Abstract: The 4f-shell electrons of rare-earth ion R have a certain influence on both the electrical and optical properties of RInO3.

Cited by 7 publications

References 32 publications

Novel Geometric Ferroelectric EuInO₃ Single Crystals with Topological Vortex Domains

Novel Geometric Ferroelectric EuInO₃ Single Crystals with Topological Vortex Domains

Magnetic properties of the quasi two-dimensional centered honeycomb antiferromagnet GdInO$_3$

Effect of cations on the structural, optoelectronic, and thermoelectric properties of AMg2N2 (A = Yb, Sm, Eu) Zintl compounds; An ab-initio study

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First principles study of ferroelectric hexagonal compounds RInO3(R = Dy, Er, and Ho): electronic structure, optical and dielectric properties

Abstract: The 4f-shell electrons of rare-earth ion R have a certain influence on both the electrical and optical properties of RInO3.

Cited by 7 publications

References 32 publications

Novel Geometric Ferroelectric EuInO3 Single Crystals with Topological Vortex Domains

Novel Geometric Ferroelectric EuInO3 Single Crystals with Topological Vortex Domains

Magnetic properties of the quasi two-dimensional centered honeycomb antiferromagnet GdInO$_3$

Effect of cations on the structural, optoelectronic, and thermoelectric properties of AMg2N2 (A = Yb, Sm, Eu) Zintl compounds; An ab-initio study

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First principles study of ferroelectric hexagonal compounds RInO₃(R = Dy, Er, and Ho): electronic structure, optical and dielectric properties

Novel Geometric Ferroelectric EuInO₃ Single Crystals with Topological Vortex Domains

Novel Geometric Ferroelectric EuInO₃ Single Crystals with Topological Vortex Domains