Best practices for first-principles simulations of epitaxial inorganic interfaces

D Dardzinski, M Yu, S Moayedpour… - Journal of Physics …, 2022 - iopscience.iop.org
At an interface between two materials physical properties and functionalities may be
achieved, which would not exist in either material alone. Epitaxial inorganic interfaces are at …

[КНИГА][B] Half-metallic alloys: fundamentals and applications

I Galanakis, PH Dederichs - 2005 - Springer
Half-metals are particular ferromagnetic materials which can be considered as hybrids
between metals and semiconductors. A particular feature of these materials is that electrons …

Theory of Heusler and full-Heusler compounds

I Galanakis - Heusler Alloys: Properties, Growth, Applications, 2015 - Springer
Spintronics/magnetoelectronics brought at the center of scientific research the Heusler and
full-Heusler compounds, since several among them have been shown to be half-metals. In …

Interface properties of and contacts

I Galanakis, M Ležaić, G Bihlmayer, S Blügel - Physical Review B—Condensed …, 2005 - APS
We study the electronic and magnetic properties of the interfaces between the half-metallic
Heusler alloy NiMnSb and the binary semiconductors InP and GaAs using two different state …

Ab initio study of the magnetostructural properties of MnAs

I Rungger, S Sanvito - Physical Review B—Condensed Matter and Materials …, 2006 - APS
The magnetic and structural properties of MnAs are studied with ab initio methods and by
map** total energies onto a Heisenberg model. The stability of the different phases is …

Towards half-metallic interfaces: Co2CrAl/InP contacts

I Galanakis - Journal of Physics: Condensed Matter, 2004 - iopscience.iop.org
Although the interest in half-metallic Heusler alloys, likely to be usable in spintronic
applications, has grown considerably, their interfaces with semiconductors show very low …

Half-metallicity and Slater-Pauling behavior in the ferromagnetic Heusler alloys

I Galanakis, PH Dederichs - Half-Metallic Alloys: Fundamentals and …, 2005 - Springer
A significant number of the intermetallic Heusler alloys have been predicted to be half-
metals. In this contribution we present a study of the basic electronic and magnetic …

Effects of pressure and strain on spin polarization of IrMnSb

I Tutic, J Herran, B Staten, P Gray… - Journal of Physics …, 2016 - iopscience.iop.org
A high degree of spin polarization in electron transport is one of the most sought-after
properties of a material which can be used in spintronics—an emerging technology utilizing …

Mechanism of the phase transitions in MnAs

J Łażewski, P Piekarz, K Parlinski - Physical Review B—Condensed Matter …, 2011 - APS
Based on first-principles calculations, the structural, magnetic, dynamic properties, and the α-
hexagonal→ β-orthorhombic→ γ-hexagonal phase transitions of ferromagnetic …

Antiferromagnetic dipolar ordering in multilayers

A Bergmann, J Grabis, BP Toperverg, V Leiner… - Physical Review B …, 2005 - APS
We have studied [Co 2 Mn Ge∕ V] N multilayers with a thickness of the V layers t V between
1.5 and 10 nm and a fixed thickness of the Heusler layer t Co 2 Mn Ge= 3 nm by x-ray …