Real-space visualization of short-range antiferromagnetic correlations in a magnetically enhanced thermoelectric

R Baral, JA Christensen, PK Hamilton, F Ye, K Chesnel… - Matter, 2022 - cell.com
Short-range magnetic correlations can significantly increase the thermopower of magnetic
semiconductors, representing a noteworthy development in the decades-long effort to …

d0-d half-Heusler alloys: A potential class of advanced spintronic materials

A Dehghan, S Davatolhagh - Journal of Alloys and Compounds, 2019 - Elsevier
The possibility of ferromagnetic half-metallicity in lithium-based half-Heusler alloys, such as
MnPLi, has been theoretically explored before [Damewood et al., Phys. Rev. B 91, 064409 …

Bulk and surface half-metallicity of CsS in CsCl structure: a density functional theory study

M Rostami, M Afshari, M Moradi - Journal of alloys and compounds, 2013 - Elsevier
The electronic and magnetic properties of CsS in CsCl structure have been investigated.
Comparisons between the total energies of CsS in different structures such as CsCl, zinc …

Temperature-dependent spin polarization of Heusler from the disordered local-moment approach: Effects of atomic disordering and nonstoichiometry

K Nawa, I Kurniawan, K Masuda, Y Miura, CE Patrick… - Physical Review B, 2020 - APS
Half-metallic ferromagnets have been widely investigated by first-principles density-
functional theory (DFT) calculations, but extending such studies to investigate spin …

First-principles disordered local-moment study on temperature dependence of spin polarization in Co2Fe (Ga0. 5Ge0. 5) Heusler alloy

I Kurniawan, K Nawa, K Masuda, Y Miura, K Hono - Acta Materialia, 2021 - Elsevier
Magnetoresistance (MR) devices fabricated with half-metallic Co-based Heusler alloys (Co
2 YZ) have a large MR ratio but are subject to substantial temperature degradation …

Electronic structure and magnetic properties of the (001),(111) and (110) surfaces of ScC with zinc blende structure

JMK Al-zyadi, MA Nattiq, JM Al-Mukh, KL Yao - Solid State Communications, 2020 - Elsevier
In this paper, the first-principles full-potential linearized augmented plane-wave method
(FPLAPW) is implemented to investigate the structural, magnetic, and electronic properties …

Half-metallic ferromagnetism in wurtzite ScM (M= C, Si, Ge, and Sn): Ab initio calculations

SW Fan, LJ Ding, ZL Wang, KL Yao - Applied Physics Letters, 2013 - pubs.aip.org
Using the full potential linearized augment plane wave method with the modified Becke and
Johnson (mBJ) potential, the half-metallicity and electronic structure for the wurtzite ScM (M …

Theoretical prediction of two-dimensional ferromagnetic Mn 2 X 2 (X= As, Sb) with strain-controlled magnetocrystalline anisotropy

Y Zhao, Z Lei, Y Wang, W Yan, R Tan, T Jing… - Physical Chemistry …, 2024 - pubs.rsc.org
Two-dimensional (2D) magnetic materials with large and tunable magnetocrystalline
anisotropy (MCA) provide unique opportunities to develop various spintronic devices. We …

Heteroepitaxial growth of ferromagnetic MnSb (0001) films on Ge/Si (111) virtual substrates

CW Burrows, A Dobbie, M Myronov… - Crystal growth & …, 2013 - ACS Publications
Molecular beam epitaxial growth of ferromagnetic MnSb (0001) has been achieved on high
quality, fully relaxed Ge (111)/Si (111) virtual substrates grown by reduced pressure …

First-principles prediction of half-metallic ferromagnetism in five transition-metal chalcogenides: The case of rocksalt structure

GY Gao, KL Yao - Journal of Applied Physics, 2012 - pubs.aip.org
Motivated by the experimental synthesis of bulk rocksalt MnS, MnSe, and MnTe, we show
with first-principles calculations that among all transition-metal pnictides and chalcogenides …