Machine learning substitutional defect formation energies in ABO3 perovskites

V Sharma, P Kumar, P Dev, G Pilania - Journal of Applied Physics, 2020 - pubs.aip.org
Perovskite oxides are a promising material platform for use in a wide range of technological
applications including electronics, sensors, fuel cells, and catalysis. This is owing to the …

Magnetic and magnetocaloric properties of tuned by selective rare-earth doping

S Yin, MS Seehra, CJ Guild, SL Suib, N Poudel… - Physical Review B, 2017 - APS
Rare-earth chromites (R Cr O 3) are an important subclass of functional materials with
interesting magnetic, electrical, and catalytic properties that make them promising for various …

Magnetic and magnetocaloric properties of iron substituted holmium chromite and dysprosium chromite

S Yin, V Sharma, A McDannald, FA Reboredo, M Jain - RSC advances, 2016 - pubs.rsc.org
In this work, HoCrO3 and Fe substituted HoCrO3 and DyCrO3 (ie HoCr0. 7Fe0. 3O3 and
DyCr0. 7Fe0. 3O3) powder samples were synthesized via a solution route. The structural …

[HTML][HTML] Enhancement in magnetocaloric properties of holmium chromite by gadolinium substitution

S Yin, M Jain - Journal of Applied Physics, 2016 - pubs.aip.org
HoCrO 3, Ho 0.67 Gd 0.33 CrO 3, and GdCrO 3 bulk powder samples were prepared by
citrate route. The phase purity and the structural properties of the samples were examined …

Resistive switching phenomena: a probe for the tracing of secondary phase in manganite

K Kumari, SJ Ray, AD Thakur - Applied Physics A, 2022 - Springer
In this report, we have claimed the new application of resistive switching phenomena, as a
probe for the tracing of the secondary phase in the La 0.7 Sr 0.3 MnO 3 (LSMO)–La 2 O 3 …

Effects of moisture on (La, A) MnO 3 (A= Ca, Sr, and Ba) solid oxide fuel cell cathodes: a first-principles and experimental study

V Sharma, MK Mahapatra, S Krishnan… - Journal of Materials …, 2016 - pubs.rsc.org
One of the major challenges in developing clean, environmentally friendly energy
technologies such as solid oxide fuel cells (SOFCs) is performance degradation at higher …

A theoretical study of the electronic, magnetic and magnetocaloric properties of the TbMnO3 multiferroic

FZ Kassimi, H Zaari, A Benyoussef, A Rachadi… - Journal of Magnetism …, 2022 - Elsevier
During the last years, a great attention has been devoted to the discovery of materials that
can be used for magnetocaloric applications such as intermetallics and oxides. In this …

Evidence of room-temperature magnetodielectric effect in brownmillerite KBiFe2O5 through magnetic, complex dielectric, and impedance study

K Chandrakanta, R Jena, P Pal, MF Abdullah… - Journal of Materials …, 2020 - Springer
We have investigated the structural, magnetic, dielectric, and magnetodielectric properties of
brownmillerite-structured polycrystalline KBiFe 2 O 5 (KBFO) sample synthesized using …

Diffusion Monte Carlo: A pathway towards an accurate theoretical description of manganese oxides

K Saritas, JT Krogel, PRC Kent, FA Reboredo - Physical Review Materials, 2018 - APS
We present diffusion Monte Carlo (DMC) results for equation of state and quasiparticle gaps
of manganese binary oxides MnO and MnO 2 and the ternary oxide LaMnO 3. Owing to the …

Structural correlation of magneto-electric coupling in polycrystalline TbMnO3 at low temperature

H Agarwal, P Yadav, NP Lalla, JA Alonso… - Journal of Alloys and …, 2019 - Elsevier
The present study is focused on the structural correlation of magneto-electric coupling that
exists in polycrystalline TbMnO 3. The X-ray diffraction patterns are collected at various …