First-principles analysis of ferroelectric transition in MnSnO3 and MnTiO3 perovskites

Kang, Sung Gu

doi:10.1016/j.jssc.2018.03.026

Cited by 10 publications

(2 citation statements)

References 43 publications

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“…(T F > 1.110) validate for hexagonal symmetry (P6 3 /mmc) in MBX 3 structure, and (0.97 < T F < 1.05) predicts the tetragonal symmetry (I4/m). While, (T F < 0.97) indicates that the compound of MBX 3 crystallizes in orthorhombic symmetry (Pnma; Pbnm) or in monoclinic structure (P2 1 /n) [29,[37][38][39][40][41]. From the above cases, it can see that the studied compounds of halide perovskites MBX 3 show values of tolerance factor T F match with the cubic Pm-3m symmetry (Table 4).…”

Section: Structural Stability Propertiesmentioning

confidence: 88%

“…Practically, this prediction gives complete confidence of the tenability to develop such the proposed compounds as promising candidate materials for novel optoelectronic and photovoltaic technologies. Besides, since the value of E g for the MBX 3 compounds can be simply tuned by applying the PBE-GGA method or through replacing the B 2+ -site completely or partially by metalloid and post-transition atoms (B 2+ = Si, Ge, Sn, Pb), the obtained semiconductor perovskites can also be exploited in the light-emitting diodes technology [37,44].…”

Section: Electronic Density Of Statesmentioning

confidence: 99%

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Cesium-metalloid halide perovskites MBX3 (M1+= Cs; B2+= Si, Ge, Sn, Pb; X–= Cl, Br, I) as semiconductor photovoltaic materials for sustainable renewable-energy applications

Almeshal¹,

H.-E²,

Alsobhi³

2023

JOR

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With the dawning of 21st century, governments faced three urgent challenges, global economic crisis, energy crisis and global warming. So, the research goals have directed on developing novel renewable-energy technologies as suitable alternative sources of the traditional energy that addresses these problems. Photovoltaic based solar cells technology gives sustainable solutions and depends on inorganic materials with specific properties. Among this family, halide perovskites (MBX3) have been investigated during the last five years. Besides studying their unique properties as flexible structures, high stability, tunable semiconductor band-gap (Eg < 2.50 eV), high charge-carrier mobility and large optical absorption, research also seek for promising and multifaceted electroptical applications that give an amazing power efficiency (~24.0 %) in photovoltaic technology. The current challenge is to synthesis MBX3 materials provide suitable properties, include notable chemical stability at high temperatures, high electrical power efficiency, broad emission and tunable semiconducting Eg. Motivated by the site substitution effect, we extended this concept to build a series of cesium-metalloid MBX3 (M1+ = Cs; B2+ = Si, Ge, Sn, Pb; X– = Cl, Br, I), and investigate their structural, stability and optoelectronic properties. We expect these investigations will provide inspiration for an innovation of such MBX3 materials in photovoltaic applications.

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Section: Structural Stability Propertiesmentioning

confidence: 88%

Section: Electronic Density Of Statesmentioning

confidence: 99%

Cesium-metalloid halide perovskites MBX3 (M1+= Cs; B2+= Si, Ge, Sn, Pb; X–= Cl, Br, I) as semiconductor photovoltaic materials for sustainable renewable-energy applications

Almeshal¹,

H.-E²,

Alsobhi³

2023

JOR

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Temperature and frequency dependent dielectric capacitance and polarization performances of low dimensional perovskite based manganese stannate

Ghosh,

Mallick

2023

J Mater Sci: Mater Electron

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Manganese stannate perovskite nanoparticles were synthesized by applying a complexation mediated approach. Rietveld refinement of the XRD data exhibited orthorhombic structure with space group of Pnma. The structure included eightfold coordinated Mn2+ cation, surrounded by eight O2− anions and formed MnO8 polyhedra unit. Each polyhedra unit interconnected through the corner-sharing SnO6 octahedra with the formation of a cage-like network. The temperature and frequency dependent dielectric performances of manganese stannate were measured in the form of a device, which exhibited maximum dielectric constant value ~ 3445. The high dielectric constant value was originated due to the contribution of space charge polarization and orientation polarization of dipoles within the measured frequency ranges. Temperature and frequency dependent AC-conduction mechanism of the manganese stannate-based device involved both overlapping large polarons and non-overlapping small polarons. Electric field-dependent of polarization hysteresis loop of the device exhibited the maximum polarization value 1.5 µC/cm2 under the electric field of 3 kV/mm. Under the applied field of 2 kV/mm, the device exhibited a fatigue-free polarization with a maximum value of 0.92 µC/cm2, sustained for 103 cycles under ambient temperature condition.

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Impact of 3d-transition metal [T = Sc, Ti, V, Cr, Mn, Fe, Co] on praseodymium perovskites PrTO3: standard spin-polarized GGA and GGA+U investigations

H.-E.

2022

Bull Mater Sci

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First-principles analysis of ferroelectric transition in MnSnO3 and MnTiO3 perovskites

Cited by 10 publications

References 43 publications

Cesium-metalloid halide perovskites MBX3 (M1+= Cs; B2+= Si, Ge, Sn, Pb; X–= Cl, Br, I) as semiconductor photovoltaic materials for sustainable renewable-energy applications

Cesium-metalloid halide perovskites MBX3 (M1+= Cs; B2+= Si, Ge, Sn, Pb; X–= Cl, Br, I) as semiconductor photovoltaic materials for sustainable renewable-energy applications

Temperature and frequency dependent dielectric capacitance and polarization performances of low dimensional perovskite based manganese stannate

Impact of 3d-transition metal [T = Sc, Ti, V, Cr, Mn, Fe, Co] on praseodymium perovskites PrTO3: standard spin-polarized GGA and GGA+U investigations

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