Structure and magnetic properties of the layered perovskite PbVO3

Okos, Alexandru; Colin, Claire; Darie, Céline; Raita, O.; Bordet, Pierre; Pop, Alexandra

doi:10.1016/j.jallcom.2014.02.144

Cited by 11 publications

(6 citation statements)

References 17 publications

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“…PbVO 3 therefore exhibits semiconducting behavior (Mott insulator). Because of the 3d xy orbital ordering, two-dimensional magnetism with competing nearest and next nearest neighbor interactions, which can be reproduced by an S = 1 / 2 square lattice model, was observed. ,, PbVO 3 undergoes a tetragonal-to-cubic phase transition at a high pressure of 3 GPa at room temperature. − This structural transition is accompanied by an insulator-to-metal transition because the single d electron occupies the triply degenerated t 2g orbital in the cubic phase . However, the giant c / a ratio prohibits the temperature-induced transition to the paraelectric phase and the polarization reversal by the electric field.…”

Section: Introductionmentioning

confidence: 99%

Na_1/2Bi_1/2VO₃ and K_1/2Bi_1/2VO₃: New Lead-Free Tetragonal Perovskites with Moderate c/a Ratios

et al. 2018

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New lead-free tetragonal perovskites Na 1/2 Bi 1/2 VO 3 and K 1/2 Bi 1/2 VO 3 were synthesized under high pressure (6 GPa) and high temperature (1473 K), based on the design of materials optimizing the lone pair effect of the A-site ion and utilizing the Jahn−Teller effect in the B-site V 4+ . The magnitudes of the c/a ratio and spontaneous polarization, P S , were 1.085 and 108 μC/cm 2 , respectively (73 μC/cm 2 by the point charge model), for Na 1/2 Bi 1/2 VO 3 and 1.054 and 92 μC/cm 2 , respectively (56 μC/ cm 2 by the point charge model), for K 1/2 Bi 1/2 VO 3 , which are comparable to the well-known lead-based ferroelectric PbTiO 3 . This approach can guide the design of new lead-free ferroelectric and piezoelectric materials.

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Section: Introductionmentioning

confidence: 99%

Na_1/2Bi_1/2VO₃ and K_1/2Bi_1/2VO₃: New Lead-Free Tetragonal Perovskites with Moderate c/a Ratios

et al. 2018

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“…[1][2][3][4][5][6][7][8][9][10] These oxides allow ionic substitution on both A and B sites, which could promote intriguing electronic properties. For example, BaSnO 3 (BSO), a perovskite stannate, is a semiconductor with an indirect band gap in the range of from 3.1 to 3.4 eV [11,12] and crystallizes in a cubic structure with the space group Pm3m [ Fig.…”

Section: Introductionmentioning

confidence: 99%

Structural, electrical, and luminescence characteristics of vacuum-annealed epitaxial (Ba,La)SnO3 thin films

Anoop

Park

Lee

et al. 2015

Electron. Mater. Lett.

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“…It has been found that few atoms at the A site in AVO 3 , e.g., PbVO 3 , showed antiferromagnetic ordering with large spontaneous polarization. 9,10 Belik et al also reported the insulator to metal transformation, induced by crystal symmetry variations from the tetragonal to cubic phase in PbVO 3 . 11 AVO 3 (A = Ba, Sr, Ca, and Mg) have been synthesized by using high-temperature and high-pressure (HTHP) conditions for investigating their structural and relevant properties.…”

Section: Introductionmentioning

confidence: 95%

“…It has been found that few atoms at the A site in AVO 3 , e.g., PbVO 3 , showed antiferromagnetic ordering with large spontaneous polarization. 9 , 10 Belik et al . also reported the insulator to metal transformation, induced by crystal symmetry variations from the tetragonal to cubic phase in PbVO 3 .…”

Section: Introductionmentioning

confidence: 99%

“…Recently, the study of AVO 3 (A = Ba, Sr, Ca, and Mg) has been given much attention because of the strong couplings between the lattice degrees of freedom and spin, − which makes them a potential candidate for the application to spintronics devices. It has been found that few atoms at the A site in AVO 3 , e.g., PbVO 3 , showed antiferromagnetic ordering with large spontaneous polarization. , Belik et al . also reported the insulator to metal transformation, induced by crystal symmetry variations from the tetragonal to cubic phase in PbVO 3 …”

Section: Introductionmentioning

confidence: 99%

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Alkaline-Earth Metal Effects on Physical Properties of Ferromagnetic AVO₃ (A = Ba, Sr, Ca, and Mg): Density Functional Theory Insights

et al. 2022

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The effects of alkaline-earth metals on electronic, optical, thermodynamic, and physical properties of ferromagnetic AVO 3 (A = Ba, Sr, Ca, and Mg) have been investigated by first-principles calculations within the GGA+ U formalism based on density functional theory. The optimized structural parameters are in good agreement with the available experimental results that evaluate the reliability of our calculations. The cell and mechanical stability is discussed using the formation energy and Born stability criteria, respectively. The mechanical behaviors of AVO 3 are discussed on the basis of the results of elastic constants, elastic moduli, Peierls stress, and Vickers hardness. The nature of the ductile–brittle transition of AVO 3 compounds was confirmed by the values of Pugh’s ratio, Poisson’s ratio, and Cauchy pressure. The electronic band structures, as well as density of states, reveal the half-metallic behavior of BaVO 3 and SrVO 3 . However, CaVO 3 and MgVO 3 exhibit spin-gapless and magnetic semiconductor characteristics, respectively. The microscopic origin of the transition from the half-metallic to semiconductor nature of AVO 3 is rationalized using electronic properties. The presence of covalent, ionic, and metallic bonds in AVO 3 compounds is found by the analysis of bonding properties. The single-band nature of half-metallic AVO 3 is seen by observing hole-like Fermi surfaces in this study. Furthermore, the various thermodynamic and optical properties are calculated and analyzed. The refractive index suggests that AVO 3 could be a potential candidate for applications to high-density optical data storage devices.

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Structure and magnetic properties of the layered perovskite PbVO3

Cited by 11 publications

References 17 publications

Na_1/2Bi_1/2VO₃ and K_1/2Bi_1/2VO₃: New Lead-Free Tetragonal Perovskites with Moderate c/a Ratios

Na_1/2Bi_1/2VO₃ and K_1/2Bi_1/2VO₃: New Lead-Free Tetragonal Perovskites with Moderate c/a Ratios

Structural, electrical, and luminescence characteristics of vacuum-annealed epitaxial (Ba,La)SnO3 thin films

Alkaline-Earth Metal Effects on Physical Properties of Ferromagnetic AVO₃ (A = Ba, Sr, Ca, and Mg): Density Functional Theory Insights

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Structure and magnetic properties of the layered perovskite PbVO3

Cited by 11 publications

References 17 publications

Na1/2Bi1/2VO3 and K1/2Bi1/2VO3: New Lead-Free Tetragonal Perovskites with Moderate c/a Ratios

Na1/2Bi1/2VO3 and K1/2Bi1/2VO3: New Lead-Free Tetragonal Perovskites with Moderate c/a Ratios

Structural, electrical, and luminescence characteristics of vacuum-annealed epitaxial (Ba,La)SnO3 thin films

Alkaline-Earth Metal Effects on Physical Properties of Ferromagnetic AVO3 (A = Ba, Sr, Ca, and Mg): Density Functional Theory Insights

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Na_1/2Bi_1/2VO₃ and K_1/2Bi_1/2VO₃: New Lead-Free Tetragonal Perovskites with Moderate c/a Ratios

Na_1/2Bi_1/2VO₃ and K_1/2Bi_1/2VO₃: New Lead-Free Tetragonal Perovskites with Moderate c/a Ratios

Alkaline-Earth Metal Effects on Physical Properties of Ferromagnetic AVO₃ (A = Ba, Sr, Ca, and Mg): Density Functional Theory Insights