First principle calculation in FeCo overlayer on GaAs substrate

Jain, Vishal; Lakshmi, N.; Jain, Vivek Kumar; K, Sijo A.; Venugopalan, K.

doi:10.1063/1.4917917

Title: First principle calculation in FeCo overlayer on GaAs substrate

Full Record
Other Related Research

Abstract

In this work the first principle electronic structure calculation is reported for FeCo/GaAs thin film system to investigate the effect of orientation on the electronic structural properties. A unit cell describing FeCo layers and GaAs layers is constructed for (100), (110), (111) orientation with vacuum of 30Å to reduce dimensions. It is found that although the (110) orientation is energetically more favorable than others, the magnetic moment is quite large in (100) and (111) system compared to the (110) and is due to the total DOS variation with orientation.

Authors:

Jain, Vishal; Lakshmi, N.; Jain, Vivek Kumar; K, Sijo A.; Venugopalan, K. ^[1]

Department of Physics, Mohanlal Sukhadia University, Udaipur-313001 (India)

Publication Date:: Wed Jun 24 00:00:00 EDT 2015

OSTI Identifier:: 22490393

Resource Type:: Journal Article

Journal Name:: AIP Conference Proceedings

Additional Journal Information:: Journal Volume: 1665; Journal Issue: 1; Conference: 59. DAE solid state physics symposium 2014, Tamilnadu (India), 16-20 Dec 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0094-243X

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; COBALT; COMPARATIVE EVALUATIONS; CRYSTAL STRUCTURE; DENSITY OF STATES; ELECTRONIC STRUCTURE; GALLIUM ARSENIDES; INTERMETALLIC COMPOUNDS; IRON; LAYERS; MAGNETIC MOMENTS; ORIENTATION; SUBSTRATES; THIN FILMS; VARIATIONS

Citation Formats


                    Jain, Vishal, Lakshmi, N., Jain, Vivek Kumar, K, Sijo A., and Venugopalan, K. First principle calculation in FeCo overlayer on GaAs substrate.  United States: N. p., 2015. 
        Web.  doi:10.1063/1.4917917.

Copy to clipboard


                    Jain, Vishal, Lakshmi, N., Jain, Vivek Kumar, K, Sijo A., & Venugopalan, K. First principle calculation in FeCo overlayer on GaAs substrate.  United States.  https://doi.org/10.1063/1.4917917

Copy to clipboard


                    Jain, Vishal, Lakshmi, N., Jain, Vivek Kumar, K, Sijo A., and Venugopalan, K. 2015.  
        "First principle calculation in FeCo overlayer on GaAs substrate".  United States.  https://doi.org/10.1063/1.4917917.

Copy to clipboard


                    
@article{osti_22490393,

  title        = {First principle calculation in FeCo overlayer on GaAs substrate},

  author       = {Jain, Vishal and Lakshmi, N. and Jain, Vivek Kumar and K, Sijo A. and Venugopalan, K.},

  abstractNote = {In this work the first principle electronic structure calculation is reported for FeCo/GaAs thin film system to investigate the effect of orientation on the electronic structural properties. A unit cell describing FeCo layers and GaAs layers is constructed for (100), (110), (111) orientation with vacuum of 30Å to reduce dimensions. It is found that although the (110) orientation is energetically more favorable than others, the magnetic moment is quite large in (100) and (111) system compared to the (110) and is due to the total DOS variation with orientation.},

  doi          = {10.1063/1.4917917},

  url          = {https://www.osti.gov/biblio/22490393},
  journal      = {AIP Conference Proceedings},

  issn         = {0094-243X},

  number       = 1,

  volume       = 1665,

  place        = {United States},

  year         = {Wed Jun 24 00:00:00 EDT 2015},

  month        = {Wed Jun 24 00:00:00 EDT 2015}

}

Copy to clipboard

Journal Article:

https://doi.org/10.1063/1.4917917

Other availability

Find in Google Scholar

Search WorldCat to find libraries that may hold this journal

Save / Share:

Export Metadata

Save to My Library

Similar records in OSTI.GOV collections:

First-Principles study of the structural, defect, and mechanical properties of B2 FeCo alloys

Journal Article Fu, Chong; Krcmar, Maja - Physical Review B

B2 FeCo has the highest saturation magnetization of any material, but has zero room temperature ductility in the ordered state that somewhat increases in the disordered state. Brittleness of FeCo has long been a puzzle given its high-symmetry B2 structure, 1/2{l_angle}111{r_angle}{l_brace}110{r_brace} slip, and low ordering temperature--all features of intrinsically ductile intermetallics. Employing first-principles calculations and statistical mechanics, we study the structural stability, point defects and order-disorder transition of B2 FeCo, and suggest a mechanism potentially leading to its intrinsic brittleness. We find that B2 FeCo is marginally stable, weakly ordered with a high density of antisite defects, and low anti-phasemore »« less
Microstructure and magnetic properties of FeCo epitaxial thin films grown on MgO single-crystal substrates

Journal Article Shikada, Kouhei; Ohtake, Mitsuru; Futamoto, Masaaki; ... - Journal of Applied Physics

FeCo epitaxial films were prepared on MgO(100), MgO(110), and MgO(111) substrates by ultrahigh vacuum molecular beam epitaxy. FeCo thin films with (100), (211), and (110) planes parallel to the substrate surface grow on respective MgO substrates. FeCo/MgO interface structures are studied by high-resolution cross-sectional transmission electron microscopy and the epitaxial growth mechanism is discussed. Atomically sharp boundaries are recognized between the FeCo thin films and the MgO substrates where misfit dislocations are introduced in the FeCo thin films presumably to decrease the lattice misfits. Misfit dislocations are observed approximately every 9 and 1.4 nm in FeCo thin film at themore »« less
https://doi.org/10.1063/1.3067854
Orientation-dependent properties of epitaxially strained perovskite oxide thin films: Insights from first-principles calculations

Journal Article Angsten, Thomas; Martin, Lane; Asta, Mark - Physical Review B

The structural properties, energetics, and polarizations of perovskite-based thin-film oxide systems are computed as a function of biaxial strain state and epitaxial orientation, employing an automated computational workflow based on density functional theory. In this work, a total of 14 compositions are considered, of the form ABO₃, with A = Ba, K, Na, Pb, and Sr and B = Hf, Sn, Ti, Zr, Nb, Ta, and V site cations chosen to yield tolerance factors with values ranging between 0.95 and 1.1. Three biaxial strain states corresponding to epitaxial growth of (100)-, (110)-, and (111)-oriented films are considered, with misfit strainsmore »« less
Cited by 18
https://doi.org/10.1103/PhysRevB.95.174110

Full Text Available
Preparation and structural characterization of FeCo epitaxial thin films on insulating single-crystal substrates

Journal Article Nishiyama, Tsutomu; Ohtake, Mitsuru; Futamoto, Masaaki; ... - Journal of Applied Physics

FeCo epitaxial films were prepared on MgO(111), SrTiO{sub 3}(111), and Al{sub 2}O{sub 3}(0001) single-crystal substrates by ultrahigh vacuum molecular beam epitaxy. The effects of insulating substrate material on the film growth process and the structures were investigated. FeCo(110){sub bcc} films grow on MgO substrates with two type domains, Nishiyama-Wassermann (NW) and Kurdjumov-Sachs (KS) relationships. On the contrary, FeCo films grown on SrTiO{sub 3} and Al{sub 2}O{sub 3} substrates include FeCo(111){sub bcc} crystal in addition to the FeCo(110){sub bcc} crystals with NW and KS relationships. The FeCo(111){sub bcc} crystal consists of two type domains whose orientations are rotated around the filmmore »« less
https://doi.org/10.1063/1.3334200
Material properties of high-quality GaAs epitaxial layers grown on Si substrates

Journal Article Fischer, R; Morkoc-cedilla, H; Neumann, D; ... - J. Appl. Phys.; (United States)

We report an investigation of the materials properties of GaAs on Si epitaxial layers. By using properly oriented substrates, we have found that a substantial reduction in the density of threading dislocations can be achieved. In the presence of steps, dislocations with their Burgers vectors in the (100) substrate plane are preferentially generated, which are more effective in accommodating lattice mismatch and do not thread into the epitaxial layer. We have also found that the density of threading dislocations can be reduced significantly by the use of GaAs/InGaAs pseudomorphic superlattices. Using these techniques, dislocation densities of as low as 10/supmore »« less
https://doi.org/10.1063/1.337253

Similar Records