Radiation-induced modifications in structural, electrical and dielectric properties of Ti4+ ions substituted Li0.5Fe2.5O4 nanoparticles

Kounsalye, Jitendra S.; Kharat, Prashant B.; Bhoyar, Dhananjay N.; Jadhav, K. M.

doi:10.1007/s10854-018-8874-x

Cited by 9 publications

(1 citation statement)

References 39 publications

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“…Irradiation can lead to the creation of a wide variety of defects, such as point defects, phase changes, and clusters of defects, which modify local atomic configurations, thus affecting the magnetic properties of LFO. Various forms of irradiation, such as γ‐ray, [ 13–15 ] electron, [ 16 ] swift heavy ion, [ 17 ] proton, [ 18 ] and laser irradiation, [ 19,20 ] have been reported in the literature. Loukya et al.…”

Section: Introductionmentioning

confidence: 99%

First‐Principles Molecular Dynamics Study of the Threshold Displacement Energy in LiFe₅O₈

Tan

Zhang²,

Jiao

et al. 2021

Crystal Research and Technology

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The threshold displacement energies (TDEs) of lattice atoms in lithium ferrite (LiFe5O8) are calculated using first‐principles molecular dynamics simulations. The TDEs vary with crystal direction and sublattice. The weighted average TDEs are 34.65, 28.54, 38.85, 37.92, and 34.31 eV for FeTetra, FeOct, Li, OI, and OII atoms in LiFe5O8, respectively. The FeOct primary knock‐on atom (PKA) has the smallest TDE. Various defects, including vacancies (VnormalFeTetra, VnormalFeOct, VLi, VnormalOnormalI, and VnormalOII), interstitials (IFe, ILi and IO), antisite defects (LnormaliFnormaleOct, LnormaliFnormaleTetra and FnormaleLi), split interstitials (DFeFe, DLiLi, DLiFe, and DOO), crowding defects (CrowFeFeFe) and exchange defects (OO), are formed by low‐energy recoil events. The effect of the presence of these defects on the magnetic behavior in LFO is investigated using density functional theory. The occupation of the octahedral and tetrahedral sublattice in LiFe5O8 has an important effect on magnetization. The net magnetization decreases or increases when a Fe atom at an octahedral or tetrahedral site is replaced by a nonmagnetic atom, respectively. These results are helpful for using irradiation to tune the magnetic behavior of LiFe5O8 and applying magnetic devices based on LiFe5O8 in the presence of irradiation.

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Section: Introductionmentioning

confidence: 99%

First‐Principles Molecular Dynamics Study of the Threshold Displacement Energy in LiFe₅O₈

Tan

Zhang²,

Jiao

et al. 2021

Crystal Research and Technology

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Structural phase analysis, optical and magnetic properties of nano Mn-doped LiFe5O8

Mohamed

2018

Appl. Phys. A

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Preparation and Thermophysical Investigations of CoFe2O4-based Nanofluid: a Potential Heat Transfer Agent

Kharat

Kounsalye

Shisode

et al. 2018

J Supercond Nov Magn

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Radiation-induced modifications in structural, electrical and dielectric properties of Ti4+ ions substituted Li0.5Fe2.5O4 nanoparticles

Cited by 9 publications

References 39 publications

First‐Principles Molecular Dynamics Study of the Threshold Displacement Energy in LiFe₅O₈

First‐Principles Molecular Dynamics Study of the Threshold Displacement Energy in LiFe₅O₈

Structural phase analysis, optical and magnetic properties of nano Mn-doped LiFe5O8

Preparation and Thermophysical Investigations of CoFe2O4-based Nanofluid: a Potential Heat Transfer Agent

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Radiation-induced modifications in structural, electrical and dielectric properties of Ti4+ ions substituted Li0.5Fe2.5O4 nanoparticles

Cited by 9 publications

References 39 publications

First‐Principles Molecular Dynamics Study of the Threshold Displacement Energy in LiFe5O8

First‐Principles Molecular Dynamics Study of the Threshold Displacement Energy in LiFe5O8

Structural phase analysis, optical and magnetic properties of nano Mn-doped LiFe5O8

Preparation and Thermophysical Investigations of CoFe2O4-based Nanofluid: a Potential Heat Transfer Agent

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Product

Resources

About

First‐Principles Molecular Dynamics Study of the Threshold Displacement Energy in LiFe₅O₈

First‐Principles Molecular Dynamics Study of the Threshold Displacement Energy in LiFe₅O₈