MnX (X= P, As) monolayers: a new type of two-dimensional intrinsic room temperature ferromagnetic half-metallic material with large magnetic anisotropy
Recent experimentally demonstrated intrinsic two-dimensional (2D) magnetism has sparked
intense interest for advanced spintronic applications. However, the rather low Curie …
intense interest for advanced spintronic applications. However, the rather low Curie …
Robust organic radical molecular junctions using acetylene terminated groups for C–Au bond formation
F Bejarano, IJ Olavarria-Contreras… - Journal of the …, 2018 - ACS Publications
Organic paramagnetic and electroactive molecules are attracting interest as core
components of molecular electronic and spintronic devices. Currently, further progress is …
components of molecular electronic and spintronic devices. Currently, further progress is …
Electronic and magnetic structure of monolayer MnAs (111): a case study by DFT
AA Al-Sattar Dawood, AH Abdul Hussein… - Chemical Review and …, 2024 - chemrevlett.com
We have calculated the electronic and magnetic properties of the monolayer MnAs (111)
using a variety of density functional theory (DFT) approaches including PBE-GGA. By cutting …
using a variety of density functional theory (DFT) approaches including PBE-GGA. By cutting …
Mechanical and thermodynamical properties of hexagonal compounds at optimized lattice parameters from two-dimensional search of the equation of state
We have calculated the mechanical and thermodynamical properties of selected hexagonal
structures by using the optimized lattice parameters (a and c) from two-dimensional (2D) …
structures by using the optimized lattice parameters (a and c) from two-dimensional (2D) …
Structurally driven metamagnetism in MnP and related compounds
We investigate the structural conditions for metamagnetism in MnP and related materials
using density-functional theory. A magnetic stability plot is constructed taking into account …
using density-functional theory. A magnetic stability plot is constructed taking into account …
Spin wave dispersion based on the quasiparticle self-consistent GW method: NiO, MnO and α-MnAs
We present calculations of spin wave dispersions for antiferromagnetic MnO, NiO and
ferromagnetic α-MnAs based on the recently developed quasiparticle self-consistent GW …
ferromagnetic α-MnAs based on the recently developed quasiparticle self-consistent GW …
Strain engineering of the magnetocaloric effect in MnAs epilayers
DH Mosca, F Vidal, VH Etgens - Physical review letters, 2008 - APS
By using heteroepitaxy on two different GaAs templates, we have investigated the impact of
anisotropic strain on the magnetocaloric effect (MCE) of MnAs. The temperature range …
anisotropic strain on the magnetocaloric effect (MCE) of MnAs. The temperature range …
Combined effect of magnetic field and hydrostatic pressure on the phase transitions exhibited by Ni-Mn-In metamagnetic shape memory alloy
We present a systematic study of the magnetostructural and magnetic transitions in the
prototype metamagnetic shape memory alloy Ni 50 Mn 34.5 In 15.5 under hydrostatic …
prototype metamagnetic shape memory alloy Ni 50 Mn 34.5 In 15.5 under hydrostatic …
Basics of the magnetocaloric effect
V Basso - arxiv preprint arxiv:1702.08347, 2017 - arxiv.org
This chapter reviews the basic physics and thermodynamics that govern magnetocaloric
materials. The thermodynamics of magnetic materials is discussed by introducing relevant …
materials. The thermodynamics of magnetic materials is discussed by introducing relevant …
Calculation of the lattice constant of hexagonal compounds with two dimensional search of equation of state and with semilocal functionals a new package (2D …
AH Reshak, M Jamal - Journal of Alloys and Compounds, 2013 - Elsevier
A new package for calculating lattice constants and equation of state for hexagonal and
tetragonal structure is released. We call it as 2D-optimize. The new package is compatible …
tetragonal structure is released. We call it as 2D-optimize. The new package is compatible …