44 citations · 113 across the 17 of their papers we have counts for
17 papers
Coupled Spin-lattice Dynamics across a Magnetostructural Phase Transition
Lokanath Patra, Zeyu Xiang, Yubi Chen +1
First-order magnetostructural phase transitions underpin giant magnetocaloric effects, yet the microscopic role of lattice dynamics in these transitions remains controversial. Here…
Revealing Phonon Bridge Effect for Amorphous vs Crystalline Metal-Silicide Layers at Si/Ti Interfaces by a Machine Learning Potential
Mayur Singh, Lokanath Patra, Chengyang Zhang +4
Metal-semiconductor interfaces play a central role in micro and nano-electronic devices as heat dissipation or temperature drop across these interfaces can significantly affect dev…
Impact of Dimensionality on the Magnetocaloric Effect in Two-dimensional Magnets
Lokanath Patra, Yujie Quan, Bolin Liao
Magnetocaloric materials, which exploit reversible temperature changes induced by magnetic field variations, are promising for advancing energy-efficient cooling technologies. The…
Unveiling the Reactivity of Oxygen and Ozone on C2N Monolayer: A First-Principles Study
Soumendra Kumar Das, Lokanath Patra, Prasanjit Samal +1
The process of environmental oxidation is pivotal in determining the physical and chemical properties of two-dimensional (2D) materials. Its impact holds great significance for the…
Enhancing Magnetocaloric Material Discovery: A Machine Learning Approach Using an Autogenerated Database by Large Language Models
Jiaoyue Yuan, Runqing Yang, Lokanath Patra +1
Magnetic cooling based on the magnetocaloric effect is a promising solid-state refrigeration technology for a wide range of applications in different temperature ranges. Previous s…
Room-temperature Magnetic Thermal Switching by Suppressing Phonon-Magnon Scattering
Fanghao Zhang, Lokanath Patra, Yubi Chen +7
Thermal switching materials, whose thermal conductivity can be controlled externally, show great potential in contemporary thermal management. Manipulating thermal transport proper…
Indirect Exchange Interaction Leads to Large Lattice Contribution to Magnetocaloric Entropy Change
Lokanath Patra, Bolin Liao
Materials with a large magnetocaloric response are highly desirable for magnetic cooling applications. It is suggested that a strong spin-lattice coupling tends to generate a large…
Strain Induced Enhanced Photocatalytic Activities in Layered Two Dimensional C2N/MoS2 Heterostructure: A Meta-GGA Study
Soumendra Kumar Das, Lokanath Patra, Prasanjit Samal +1
The improved photocatalytic water splitting using 2D materials has technological importance for economically viable renewable energy. The present study focuses on the effect of uni…
Electron doping of the layered nickelate LaNiO by aluminum substitution: A combined experimental and DFT study
Manimuthu Periyasamy, Lokanath Patra, Øystein S. Fjellvåg +5
The physical properties of LaNiO with a 2D-like Ruddlesden-Popper-type crystal structure are extraordinarily dependent on temperature and chemical substitution. By i…
Giant magnetoelectric coupling in multiferroic PbTiVO from density functional calculations
Lokanath Patra, Vidya Ravindran, Helmer Fjellvag +1
The giant magnetoelectric coupling is a very rare phenomenon which has gained a lot of attention for the past few decades because of fundamental interest as well as practical appli…
Metamagnetism stabilized giant magnetoelectric coupling in ferroelectric \textit{x}BaTiO-(1-\textit{x})BiCoO solid solution
Lokanath Patra, Zhao Pan, Jun Chen +2
In order to establish the correlation between the magnetoelectric coupling and magnetic instability, we have studied the structural, magnetic, and ferroelectric properties of \text…
Giant Negative Thermal Expansion Induced by the Synergistic Effects of Ferroelectrostriction and Spin-Crossover in PbTiO3-Based Perovskites
Zhao Pan, Jun Chen, Runze Yu +18
The discovery of unusual negative thermal expansion (NTE) provides the opportunity to control the common but much desired property of thermal expansion, which is valuable not only…
Magnetoelectric Properties of Pb Free Bi2FeTiO6: A Theoretical Investigation
Lokanath Patra, P. Ravindran
The structural, electronic, magnetic and ferroelectric properties of Pb free double perovskite multiferroic Bi2FeTiO6 are investigated using density functional theory within the ge…
Theoretical Investigation of the Magnetoelectric Properties of Bi2NiTiO6
Lokanath Patra, P. Ravindran
We report the first principle investigations on the structural, electronic, magnetic and ferroelectric properties of a Pb free double perovskite multiferroic Bi2NiTiO6 using densit…
Prediction of Magnetoelectric behavior in Bi2MnTiO6
Lokanath Patra, P. Ravindran
We present results from ab initio calculations based on density functional theory for bismuth-based double perovskite Bi2MnTiO6. Using total energy calculation with stress and forc…
Electronic and magnetic structures of hole doped trilayer La(4-x)Sr(x)Ni3O8 from first principles calculations
Lokanath Patra, M. R. Ashwin Kishore, R. Vidya +3
The magnetic and electronic properties of trilayer La4Ni3O8, similar to hole doped cuprates, are investigated by performing full-potential linearized augmented plane wave method-ba…
Theoretical and Experimental Investigation on Structural, Electronic and Magnetic Properties of layered Mn5O8
M. R. Ashwin Kishore, H. Okamoto, Lokanath Patra +4
We have investigated the crystal, electronic, and magnetic structure of Mn5O8 by means of state of-the-art density functional theory calculations and neutron powder diffraction (NP…