Peculiarities of the Dipole Ordering in CuInP2(SexS1 −x)6Layered Ferroelectrics

Maior, M. M.; Belej, L. M.; Гурзан, М. І.; Vysochanskiǐ, Yu. M.

doi:10.1080/00150190701260744

Cited by 10 publications

(9 citation statements)

References 11 publications

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“…In other words, both FE and AFE states could co-exist due to this large energy barrier. It agrees with the experimental fact that, despite the FE ordering is the ground state, bulk CuInP 2 Se 6 exhibits dipole-glass properties at low temperature, because of a mixture of FE and AFE orderings [39][40][41] . In other words, if a strong initialing field is applied to forcing a FE ordering, the vertically ferroelectricity may be stable and observed in monolayer CuInP 2 Se 6 because of the significant energy barrier between the FE and AFE states.…”

Section: Polarization In Freestanding Cuinp2se6supporting

confidence: 87%

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Off-plane polarization ordering in metal chalcogen diphosphates from bulk to monolayer

2017

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Vertically (off-plane) ferroelectric ordering in ultra-thin films has been pursued for decades. We predict the existence of intrinsic vertical polarization orderings in ultra-thin metal chalcogendiphosphates (MCDs). Taking CuInP2Se6 as an example, the first-principles calculation and electrostatic-energy model show that, under the open-circuit boundary condition, the ground state of bulk CuInP2Se6 is ferroelectric (FE) while that of monolayer is antiferroelectric (AFE), and the critical thickness for this FE/AFE transition is around 6 layers. Interestingly, under the closedcircuit boundary condition, the FE state can hold even for monolayer. Particularly, because of the small energy difference but the large barrier between FE and AFE orderings, the FE state can be stabilized in free-standing monolayer, giving rise to intrinsic, off-plane two-dimensional ferroelectrics. Applying Monte Carlo simulations, we further calculate the ferroelectric Curie temperature (Tc) and electric hysteresis.

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Section: Polarization In Freestanding Cuinp2se6supporting

confidence: 87%

“…less than FE, making AFE be the rigorously ground state of monolayer due to the depolarization effect. In other words, at very low temperature and under perfect equilibrium, freestanding monolayer CuInP 2 Se 6 will theoretically stay on an AFE order or form dipole glass [39][40][41] .…”

Section: Polarizations and Boundary Conditionsmentioning

confidence: 99%

Off-plane polarization ordering in metal chalcogen diphosphates from bulk to monolayer

2017

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“…1, має майже симетричну форму. [5], а також порівняння діелектричного поведінки в зразках типу 1 і типу 2, дефекти кристалічної гратки перешкоджають динамічним флуктуаціям ансамблю диполів, в результаті чого кластерний вклад пригнічується частково (як у випадку зразків типу 2) або повністю (як у випадку твердих розчинів) [5].…”

Section: методика експериментуunclassified

“…Спробуємо зрозуміти роль дефектів кристалічної гратки, аналізуючи діалектричну поведінку у твердих розчинах із заміщенням у катіонній або аніонної підгратках. Як відомо [5]…”

Section: методика експериментуunclassified

THE PECULIARITIES OF DIALECTRIC BEHAVIOR IN PHASE TRANSITION IN THE LAMELLAR CuInP2S(Se)6 FERROELECTRICS

Медулич¹,

Maior²,

Когутич³

et al. 2014

Sci.Herald.Uzh.Univ.Ser.Phys

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Проведені дослідження особливостей сегнетоелектричного упорядкування в кристалах CuInP 2 Se 6 діелектричними методами. Встановлено, що в околі фазового переходу значний вклад в діелектричний відгук має кластерну природу. Аналізується вплив розупорядкування, індукованого заміщенням в аніонній і катіонній підгратках, на дипольне упорядкування в досліджуваних кристалах. Ключові слова: діелектрична проникність, сегнетоелектрики, фазовий перехід, діелектричний відгук, гістерезис, час релаксації.

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“…Mixed CuInP 2 (S x Se 1– x ) 6 crystals exhibit an unusual assymetric phase diagram . In these crystals at low temperatures for medium sulfur concentrations ( x = 0.9–0.4), a dipolar glass behavior was observed . However, for compounds with x = 0.2 and x = 0.25 a relaxor behavior was claimed .…”

Section: Introductionmentioning

confidence: 98%

Electrical conductivity of layered CuInP₂ (S _x Se₁ ₋ _x )₆ crystals

Macutkevič

Banys

Vysochanskii

2015

Phys. Status Solidi B

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Investigations of the electrical conductivity of mixed CuInP 2 (S x Se 1-x ) 6 crystals were carried out in the frequency range of 20-1 MHz. Anomalies in dc conductivity were observed close to the ferroelectric phase-transition temperature. However, these anomalies are different in selenium-and sulfur-rich compounds. While in the selenium-rich crystals group the anomaly of conductivity is sharp, in the sulfur-rich crystals group it is less expressed. These results indicate that the copper ions contribution to the total conductivity is not vanishing down to the lowest temperatures in sulfur-rich crystals. Moreover, in paraelectric phase the dc conductivity activation energy correlate with the preexponential factor according to the Meyer-Neldel law. No conductivity anomaly was observed in mixed CuInP 2 (S x Se 1-x ) 6 crystals with the dipolar glass or relaxor behavior.

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Peculiarities of the Dipole Ordering in CuInP₂(Se_xS_{1 −x})₆Layered Ferroelectrics

Cited by 10 publications

References 11 publications

Off-plane polarization ordering in metal chalcogen diphosphates from bulk to monolayer

Off-plane polarization ordering in metal chalcogen diphosphates from bulk to monolayer

THE PECULIARITIES OF DIALECTRIC BEHAVIOR IN PHASE TRANSITION IN THE LAMELLAR CuInP<sub>2</sub>S(Se)<sub>6</sub> FERROELECTRICS

Electrical conductivity of layered CuInP₂ (S _x Se₁ ₋ _x )₆ crystals

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Peculiarities of the Dipole Ordering in CuInP2(SexS1 −x)6Layered Ferroelectrics

Cited by 10 publications

References 11 publications

Off-plane polarization ordering in metal chalcogen diphosphates from bulk to monolayer

Off-plane polarization ordering in metal chalcogen diphosphates from bulk to monolayer

THE PECULIARITIES OF DIALECTRIC BEHAVIOR IN PHASE TRANSITION IN THE LAMELLAR CuInP<sub>2</sub>S(Se)<sub>6</sub> FERROELECTRICS

Electrical conductivity of layered CuInP2 (S x Se1 − x )6 crystals

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Peculiarities of the Dipole Ordering in CuInP₂(Se_xS_{1 −x})₆Layered Ferroelectrics

Electrical conductivity of layered CuInP₂ (S _x Se₁ ₋ _x )₆ crystals