Open Access. Powered by Scholars. Published by Universities.®
- Discipline
- Keyword
-
- Ab Initio Calculations (1)
- Anisotropy (1)
- Antiferromagnetic Gd Pnictides (1)
- Antiferromagnetic Superexchange Interactions (1)
- Atomic-Size Ni Nanowires (1)
-
- Boltzmann Distribution (1)
- C2B10 Clusters (1)
- Carborane Molecules (1)
- Carborane Solids (1)
- Clusters (1)
- Computational Nanoscience (1)
- Computed Vibrational Spectra (1)
- Curie (Neel) Temperatures (1)
- Density Functional Methods (1)
- Density-Functional Theory (DFT) (1)
- Domain Walls (1)
- Electronic Structure (1)
- Electronic Structure Calculations (1)
- Electronic Structure of C2B10H12 (1)
- Exchange Interaction Parameters (1)
- Ferromagnetic in GdN (1)
- First-Principles Calculations (1)
- Gd Monopnictides (1)
- Generalized-Gradient Approximation (1)
- Heisenberg Model (1)
- Hybridization (1)
- Hydrogen Atoms (1)
- Indirect Exchange Interactions (1)
- Interatomic Exchange (1)
- Ionic Radius (1)
Articles 1 - 4 of 4
Full-Text Articles in Entire DC Network
Magnetic Moment Softening And Domain Wall Resistance In Ni Nanowires, J. D. Burton, Renat F. Sabirianov, Sitaram Jaswal, Evgeny Y. Tsymbal, Oleg N. Mryasov
Magnetic Moment Softening And Domain Wall Resistance In Ni Nanowires, J. D. Burton, Renat F. Sabirianov, Sitaram Jaswal, Evgeny Y. Tsymbal, Oleg N. Mryasov
Physics Faculty Publications
We perform ab initio calculations of the electronic structure and conductance of atomic-size Ni nanowires with domain walls only a few atomic lattice constants wide. We show that the hybridization between noncollinear spin states leads to a reduction of the magnetic moments in the domain wall resulting in the enhancement of the domain wall resistance. Experimental studies of the magnetic moment softening may be feasible with modern techniques such as scanning tunneling spectroscopy.
Magnetic Ordering In Gd Monopnictides: Indirect Exchange Versus Superexchange Interaction, Chun-Gang Duan, Renat F. Sabirianov, Wai-Ning Mei, Peter Dowben, Sitaram Jaswal, Evgeny Y. Tsymbal
Magnetic Ordering In Gd Monopnictides: Indirect Exchange Versus Superexchange Interaction, Chun-Gang Duan, Renat F. Sabirianov, Wai-Ning Mei, Peter Dowben, Sitaram Jaswal, Evgeny Y. Tsymbal
Physics Faculty Publications
The exchange interaction parameters of Gd monopnictides are deduced from fitting the total energies of different magnetic configurations to those computed within the Heisenberg model. The magnetic structures predicted by first-principles calculations as well as the Curie (Néel) temperatures obtained from Monte Carlo simulations are both in good agreement with experiments. A detailed analysis of the exchange parameters suggests that the Ruderman-Kittel-Kasuya-Yosida-type indirect exchange interactions and antiferromagnetic superexchange interactions coexist in these compounds. The magnetic order changes from ferromagnetic in GdN to antiferromagnetic in other Gd pnictides as a result of the increased ionic radius of a pnictide in the …
Spin-Polarized Electronic Structure, Arti Kashyap, Renat F. Sabirianov, Sitaram S, Jaswal
Spin-Polarized Electronic Structure, Arti Kashyap, Renat F. Sabirianov, Sitaram S, Jaswal
Physics Faculty Publications
This chapter is devoted to the electronic structure of nanoscale metallic magnets. After an introduction to methods of electronic structure calculations, we review how recent trends translate into the description of magnetic nanostructures. Among the considered structures are nanowires, small particles, surfaces and interfaces, and multilayers, and emphasis is on magnetic properties such as moment and magnetization, interatomic exchange, and anisotropy. One of the goals of computational nanoscience is to calculate physical and chemical properties from first principles. This requires the knowledge of the electronic structures of the materials system in question. The density-functional theory (DFT) makes a huge step …
Electronic Structure And Vibrational Spectra Of C2b10-Based Clusters And Films, Kyungwha Park, Mark R. Pederson, L. L. Boyer, Wai-Ning Mei, Renat F. Sabirianov, Xiao Cheng Zeng, Satya Silendra Bulusu, Seamus Curran, James Dewald, Ellen E. Day, Shireen Adenwalla, Manuel Diaz, Luis G. Rosa, Peter Dowben
Electronic Structure And Vibrational Spectra Of C2b10-Based Clusters And Films, Kyungwha Park, Mark R. Pederson, L. L. Boyer, Wai-Ning Mei, Renat F. Sabirianov, Xiao Cheng Zeng, Satya Silendra Bulusu, Seamus Curran, James Dewald, Ellen E. Day, Shireen Adenwalla, Manuel Diaz, Luis G. Rosa, Peter Dowben
Physics Faculty Publications
The electronic structure, total energy, and vibrational properties of C2B10H12 (carborane)molecules and C2B10 clusters formed when the hydrogen atoms are removed from carborane molecules are studied using density functional methods and a semiempirical model. Computed vibrational spectra for carborane molecules are shown to be in close agreement with previously published measured spectra taken on carborane solids. Semiconducting boron carbide films are prepared by removing hydrogen from the three polytypes of C2B10H12 deposited on various surfaces. Results from x-ray and Raman scattering measurements on these films are reported. …