scholarly journals Emergence of a Multiferroic Half-Metallic Phase in Bi2FeCrO6 through Interplay of Hole Doping and Epitaxial Strain

2019 ◽  
Vol 123 (10) ◽  
Author(s):  
Paresh C. Rout ◽  
Varadharajan Srinivasan
Author(s):  
I. C. Lin ◽  
M. H. Lee ◽  
P. C. Wu ◽  
S. C. Lin ◽  
J. W. Chen ◽  
...  

Abstract Thin oxide films are of vast opportunities for modern electronics and can facilitate emergent phenomena by factors absent in the bulk counterparts, such as the ubiquitous epitaxial strain and interfacial charge doping. Here, we demonstrate the twisting of intended bulk-metallic phases in 10-unit-cell LaNiO3, PrNiO3, and NdNiO3 films on (001)-oriented SrTiO3 into distinct charge-lattice entangled states by epitaxial strains. Using atomically-resolved electron microscopy and spectroscopy, the interfacial electron doping into SrTiO3 in the conventional context of band alignments are discounted. Instead, spontaneously doped holes that are localized and at the order of 1013 cm-2 are atomically unraveled across all three heterointerfaces and associated with strain mitigations by the accompanied atomic intermixing with various ionic radii. The epitaxial strains also lead to condensations of monoclinic-C2/c lattice instabilities, which are hidden to the bulk phase diagram. The group-theoretical analysis of characteristic transition pathways unveils the strain resurrection of the hidden C2/c symmetry. While this strain-induced monoclinic phase in LaNiO3 remains metallic at room temperature, those in PrNiO3 and NdNiO3 turn out to be insulating. Such strain-induced monoclinic lattice instabilities and parasitic localized holes go beyond the classical elastic deformations of films upon epitaxial strains and hint on plausible hidden orders in versatile oxide heterostructures with unexpected properties, of which the exploration is only at the infancy and full of potentials.


SPIN ◽  
2019 ◽  
Vol 09 (03) ◽  
pp. 1950017
Author(s):  
Ting-Zhou Li ◽  
R. Khenata ◽  
Houari Khachai ◽  
Xiaotian Wang

A novel half-metallic family of materials, the multiple Dirac cones half-metals, has received considerable interest from researchers. Benefiting from its novel electronic structure, they are promising candidates for ultra-performance spintronic devices. In this paper, we propose a new half-metallic material, perovskite-type [Formula: see text] HoMnO3, which possesses similar Dirac-like multiple linear band crosses. We investigated its electronic, magnetic and thermodynamic properties in detail on the basis of density functional theory. The excellent band structures are robust enough against spin-orbit coupling and electron and hole doping. Through calculations, we confirmed its multi-aspect stability. Based on the current study, we confirm that HoMnO3 has potential for next-generation spintronic applications.


2018 ◽  
Vol 6 (25) ◽  
pp. 6792-6798 ◽  
Author(s):  
Shi-Hao Zhang ◽  
Bang-Gui Liu

Two-dimensional (2D) high-temperature ferromagnetic materials are important for spintronic applications.


2D Materials ◽  
2021 ◽  
Vol 8 (2) ◽  
pp. 025027
Author(s):  
H Banerjee ◽  
P Barone ◽  
S Picozzi

1998 ◽  
Vol 12 (29n31) ◽  
pp. 3359-3364
Author(s):  
D. Bagayoko ◽  
G. L. Zhao ◽  
J. D. Fan ◽  
J. T. Wang

We studied the electronic structure and optical properties of the low temperature (T = 0 K for the calculation) ferromagnetic phase of La3/4Ca1/4MnO3 using a self-consistent ab-initio LCAO method. We employed a local density potential. The calculated electronic structure suggests that the material is in a half-metallic state. The calculated average magnetic moment for the half-metallic phase is 3.75 μ B per Mn. This value is very close to the experimental values of 3.7 μ B per Mn. The real part of the optical conductivity, σ1(ω), from the direct band transitions, is predicted. The calculated optical conductivity shows that for photon energies below 2.4 eV, the electronic states of minority spin do not contribute to the optical transitions.


2018 ◽  
Vol 32 (7) ◽  
pp. 2031-2044 ◽  
Author(s):  
L. Beldi ◽  
H. Bendaoud ◽  
K. O. Obodo ◽  
B. Abbar ◽  
B. Bouhafs
Keyword(s):  

SPIN ◽  
2014 ◽  
Vol 04 (04) ◽  
pp. 1440025 ◽  
Author(s):  
GAVIN R. BELL ◽  
CHRISTOPHER W. BURROWS ◽  
THOMAS P. A. HASE ◽  
MARK J. ASHWIN ◽  
SEAN R. C. MCMITCHELL ◽  
...  

The cubic polymorph of the binary transition metal pnictide (TMP) MnSb , c- MnSb , has been predicted to be a robust half-metallic ferromagnetic (HMF) material with minority spin gap ≳1 eV. Here, MnSb epilayers are grown by molecular beam epitaxy (MBE) on GaAs and In 0.5 Ga 0.5 As (111) substrates and analyzed using synchrotron radiation X-ray diffraction. We find polymorphic growth of MnSb on both substrates, where c- MnSb co-exists with the ordinary niccolite n- MnSb polymorph. The grain size of the c- MnSb is of the order of tens of nanometer on both substrates and its appearance during MBE growth is independent of the very different epitaxial strain from the GaAs (3.1%) and In 0.5 Ga 0.5 As (0.31%) substrates.


2012 ◽  
Vol 519 ◽  
pp. 174-178
Author(s):  
Tong Wei Li ◽  
La Chen ◽  
Yang Wang ◽  
Jin Cang Zhang

The electronic structures of the titanium-doped cubic perovskite ruthenates BaRu1-xTixO3 with x=0.125, 0.25, 0.375, 0.5, 0.625, 0.75, and 0.875 are investigated using the spin-polarized density functional theory within the pseudopotential plane wave method. It is found that a half-metallic phase appears in the 0.75- and 0.875-doped systems, and the origin of half-metallic property is the decrease of t2g bandwidth of Ru 4d states with the increase in x. In addition, the energy gap of BaRu0.25Ti0.75O3 is as large as 1.7 eV at the Fermi level in the up-spin density of states, which suggests a stable half-metallic phase can be obtained in the present systems.


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