Intersublattice magnetocrystalline anisotropy using a realistic tight-binding method based on maximally localized Wannier functions
- Authors:
-
- Ames Lab., Ames, IA (United States)
- Publication Date:
- Research Org.:
- Ames Lab., Ames, IA (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1495407
- Alternate Identifier(s):
- OSTI ID: 1498680; OSTI ID: 1546150
- Report Number(s):
- IS-J-9886; IS-J-9901
Journal ID: ISSN 2469-9950; PRBMDO
- Grant/Contract Number:
- AC02-07CH11358
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 99; Journal Issue: 5; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Ke, Liqin. Intersublattice magnetocrystalline anisotropy using a realistic tight-binding method based on maximally localized Wannier functions. United States: N. p., 2019.
Web. doi:10.1103/PhysRevB.99.054418.
Ke, Liqin. Intersublattice magnetocrystalline anisotropy using a realistic tight-binding method based on maximally localized Wannier functions. United States. https://doi.org/10.1103/PhysRevB.99.054418
Ke, Liqin. Tue .
"Intersublattice magnetocrystalline anisotropy using a realistic tight-binding method based on maximally localized Wannier functions". United States. https://doi.org/10.1103/PhysRevB.99.054418. https://www.osti.gov/servlets/purl/1495407.
@article{osti_1495407,
title = {Intersublattice magnetocrystalline anisotropy using a realistic tight-binding method based on maximally localized Wannier functions},
author = {Ke, Liqin},
abstractNote = {},
doi = {10.1103/PhysRevB.99.054418},
journal = {Physical Review B},
number = 5,
volume = 99,
place = {United States},
year = {2019},
month = {2}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 12 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Magnetic anisotropy of a free-standing Co monolayer and of multilayers which contain Co monolayers
journal, October 1994
- Daalderop, G. H. O.; Kelly, P. J.; Schuurmans, M. F. H.
- Physical Review B, Vol. 50, Issue 14
A technique for relativistic spin-polarised calculations
journal, August 1977
- Koelling, D. D.; Harmon, B. N.
- Journal of Physics C: Solid State Physics, Vol. 10, Issue 16
Magnetocrystalline anisotropy energy of a transition metal monolayer: A non-perturbative theory
journal, May 1996
- Moos, T. H.; Hübner, W.; Bennemann, K. H.
- Solid State Communications, Vol. 98, Issue 7
Reaching the magnetic anisotropy limit of a 3d metal atom
journal, May 2014
- Rau, I. G.; Baumann, S.; Rusponi, S.
- Science, Vol. 344, Issue 6187
Microscopic origin of magnetocrystalline anisotropy in transition metal thin films
journal, April 1998
- Laan, Gerrit van der
- Journal of Physics: Condensed Matter, Vol. 10, Issue 14
Band-filling effect on magnetic anisotropy using a Green's function method
journal, July 2015
- Ke, Liqin; van Schilfgaarde, Mark
- Physical Review B, Vol. 92, Issue 1
Maximally localized Wannier functions: Theory and applications
journal, October 2012
- Marzari, Nicola; Mostofi, Arash A.; Yates, Jonathan R.
- Reviews of Modern Physics, Vol. 84, Issue 4
Application of complex energy integration to selfconsistent electronic structure calculations
journal, November 1982
- Zeller, R.; Deutz, J.; Dederichs, P. H.
- Solid State Communications, Vol. 44, Issue 7
An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions
journal, August 2014
- Mostofi, Arash A.; Yates, Jonathan R.; Pizzi, Giovanni
- Computer Physics Communications, Vol. 185, Issue 8
Origin of magnetic anisotropy in doped alloys
journal, October 2016
- Ke, Liqin; Kukusta, D. A.; Johnson, Duane D.
- Physical Review B, Vol. 94, Issue 14
Tight-binding approach to the orbital magnetic moment and magnetocrystalline anisotropy of transition-metal monolayers
journal, January 1989
- Bruno, Patrick
- Physical Review B, Vol. 39, Issue 1, p. 865-868
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Quasiparticle Self-Consistent Theory
journal, June 2006
- van Schilfgaarde, M.; Kotani, Takao; Faleev, S.
- Physical Review Letters, Vol. 96, Issue 22
First-principles calculation of the magnetocrystalline anisotropy energy of iron, cobalt, and nickel
journal, June 1990
- Daalderop, G. H. O.; Kelly, P. J.; Schuurmans, M. F. H.
- Physical Review B, Vol. 41, Issue 17
Tight-Binding Calculation of Bands of Fe with and without Spin-Orbit Coupling
journal, November 1965
- Abate, E.; Asdente, M.
- Physical Review, Vol. 140, Issue 4A
Maximally localized generalized Wannier functions for composite energy bands
journal, November 1997
- Marzari, Nicola; Vanderbilt, David
- Physical Review B, Vol. 56, Issue 20
Temperature-dependent magnetic properties of FePt: Effective spin Hamiltonian model
journal, March 2005
- Mryasov, O. N.; Nowak, U.; Guslienko, K. Y.
- Europhysics Letters (EPL), Vol. 69, Issue 5
Practical Aspects of Modern and Future Permanent Magnets
journal, July 2014
- McCallum, R. W.; Lewis, L.; Skomski, R.
- Annual Review of Materials Research, Vol. 44, Issue 1
Magnetocrystalline anisotropy and orbital moments in transition-metal compounds
journal, December 1991
- Daalderop, G. H. O.; Kelly, P. J.; Schuurmans, M. F. H.
- Physical Review B, Vol. 44, Issue 21
An efficient magnetic tight-binding method for transition metals and alloys
journal, March 2016
- Barreteau, Cyrille; Spanjaard, Daniel; Desjonquères, Marie-Catherine
- Comptes Rendus Physique, Vol. 17, Issue 3-4
Magnetic surface anisotropy of transition metals
journal, September 1976
- Takayama, H.; Bohnen, Klaus-Peter; Fulde, Peter
- Physical Review B, Vol. 14, Issue 6
Alternating magnetic anisotropy of
journal, May 2015
- Jesche, A.; Ke, L.; Jacobs, J. L.
- Physical Review B, Vol. 91, Issue 18
Mechanism of Uniaxial Magnetocrystalline Anisotropy in Transition Metal Alloys
journal, March 2014
- Kota, Yohei; Sakuma, Akimasa
- Journal of the Physical Society of Japan, Vol. 83, Issue 3
Torque method for the theoretical determination of magnetocrystalline anisotropy
journal, July 1996
- Wang, Xindong; Wu, Ruqian; Wang, Ding-sheng
- Physical Review B, Vol. 54, Issue 1
Magnetic anisotropy in low-dimensional ferromagnetic systems: Fe monolayers on Ag(001), Au(001), and Pd(001) substrates
journal, September 1990
- Li, Chun; Freeman, A. J.; Jansen, H. J. F.
- Physical Review B, Vol. 42, Issue 9
Validity of the force theorem for magnetocrystalline anisotropy
journal, July 1996
- Wang, Xindong; Wang, Ding-sheng; Wu, Ruqian
- Journal of Magnetism and Magnetic Materials, Vol. 159, Issue 3
Total-energy differences and eigenvalue sums
journal, August 1985
- Weinert, M.; Watson, R. E.; Davenport, J. W.
- Physical Review B, Vol. 32, Issue 4
Large magnetocrystalline anisotropy in bilayer transition metal phases from first-principles full-potential calculations
journal, March 2001
- Ravindran, P.; Kjekshus, A.; Fjellvåg, H.
- Physical Review B, Vol. 63, Issue 14
Magnetocrystalline anisotropy of FePt: A detailed view
journal, October 2016
- Ayaz Khan, Saleem; Blaha, Peter; Ebert, Hubert
- Physical Review B, Vol. 94, Issue 14
Magnetocrystalline anisotropy in ferromagnetic films
journal, August 1994
- Cinal, M.; Edwards, D. M.; Mathon, J.
- Physical Review B, Vol. 50, Issue 6
Possible definition of atom- and bond-resolved contributions to the magnetocrystalline anisotropy energy
journal, December 2009
- Subkow, S.; Fähnle, M.
- Physical Review B, Vol. 80, Issue 21
Ab initiomolecular dynamics for liquid metals
journal, January 1993
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 47, Issue 1, p. 558-561
A local exchange-correlation potential for the spin polarized case. i
journal, July 1972
- Barth, U. von; Hedin, L.
- Journal of Physics C: Solid State Physics, Vol. 5, Issue 13
Theory of shear magnetostriction in amorphous and crystalline ferromagnetic metals
journal, June 1984
- Heine, V.; Kok, W. C.; Nex, C. M. M.
- Journal of Magnetism and Magnetic Materials, Vol. 43, Issue 1
Real-space presentation of the magnetic anisotropy of metallic ferromagnets
journal, May 2015
- Inoue, Jun-ichiro; Yoshioka, Takuya; Tsuchiura, Hiroki
- Journal of Applied Physics, Vol. 117, Issue 17
Quasiparticle self-consistent method: A basis for the independent-particle approximation
journal, October 2007
- Kotani, Takao; van Schilfgaarde, Mark; Faleev, Sergey V.
- Physical Review B, Vol. 76, Issue 16
Improved tetrahedron method for Brillouin-zone integrations
journal, June 1994
- Blöchl, Peter E.; Jepsen, O.; Andersen, O. K.
- Physical Review B, Vol. 49, Issue 23
Origin of orbital magnetization and magnetocrystalline anisotropy in TX ordered alloys (where T =Fe,Co and X =Pd,Pt)
journal, November 1995
- Solovyev, I. V.; Dederichs, P. H.; Mertig, I.
- Physical Review B, Vol. 52, Issue 18
Magnetocrystalline anisotropy energy for adatoms and monolayers on non-magnetic substrates: where does it come from?
journal, April 2014
- Šipr, O.; Bornemann, S.; Ebert, H.
- Journal of Physics: Condensed Matter, Vol. 26, Issue 19
Relativistic spin-polarized theory of magnetoelastic coupling and magnetic anisotropy strain dependence: Application to Co/Cu(001)
journal, December 1997
- Shick, A. B.; Novikov, D. L.; Freeman, A. J.
- Physical Review B, Vol. 56, Issue 22
Magnetic Anisotropy of Localized State in Metals
journal, April 1965
- Yosida, Kei; Okiji, Ayao; Chikazumi, S\=oshin
- Progress of Theoretical Physics, Vol. 33, Issue 4
Maximally localized Wannier functions for entangled energy bands
journal, December 2001
- Souza, Ivo; Marzari, Nicola; Vanderbilt, David
- Physical Review B, Vol. 65, Issue 3
Constituents of magnetic anisotropy and a screening of spin–orbit coupling in solids
journal, September 2014
- Antropov, Vladimir; Ke, Liqin; Åberg, Daniel
- Solid State Communications, Vol. 194
Comparative study of tight-binding and ab initio electronic structure calculations focused on magnetic anisotropy in ordered CoPt alloy
journal, April 2014
- Zemen, J.; Mašek, J.; Kučera, J.
- Journal of Magnetism and Magnetic Materials, Vol. 356
Works referencing / citing this record:
Emerging High Coercivity and Huge Exchange Bias Effect in Single Phased Mn 1− x Ru x Co 2 O 4 Compounds
journal, August 2019
- Chang, Yidi; Tao, Qiang; Lian, Min
- Advanced Electronic Materials, Vol. 5, Issue 12
Theoretical study of the microscopic origin of magnetocrystalline anisotropy in Fe 16 N 2 and its alloys: comparison with the other L1 0 alloys
journal, October 2019
- Han, Myung Hoon; Kim, Won June; Lee, Eok Kyun
- Journal of Physics: Condensed Matter, Vol. 32, Issue 3