Results 11 to 20 of about 228,318 (296)

A Systematic Approach for Semiconductor Half-Heusler

open access: yesFrontiers in Materials, 2021
The key to designing a half-Heusler begins from the understanding of atomic interactions within the compound. However, this pool of knowledge in half-Heusler compounds is briefly segregated in many papers for specific explanations.
Wei Yang Samuel Lim   +7 more
doaj   +1 more source

Interplay of hidden orbital order and superconductivity in CeCoIn5

open access: yesNature Communications, 2023
Visualizing atomic-orbital degrees of freedom is a frontier challenge in scanned microscopy. Some types of orbital order are virtually imperceptible to normal scattering techniques because they do not reduce the overall crystal lattice symmetry.
Weijiong Chen   +8 more
doaj   +1 more source

A general second order complete active space self-consistent-field solver for large-scale systems [PDF]

open access: yes, 2017
We present a new second order complete active space self-consistent field implementation to converge wavefunctions for both large active spaces and large atomic orbital (AO) bases.
Chan, Garnet Kin-Lic   +2 more
core   +3 more sources

Fulde-Ferrell states in unequally charged Fermi gases

open access: yes, 2020
Atoms with different internal states can exhibit different responses to an artificial magnetic field. An atomic gas mixture of two different components can therefore be interpreted as a mixture of two atomic gases carrying different synthetic charges. We
Ghazanfari, Nader, Subaşı, A. Levent
core   +1 more source

Layer-dependence of macroscopic and atomic magnetic correlations in Co/Pd multilayers

open access: yesAIP Advances, 2020
The development of multilayered materials with engineered magnetic properties compels a deep knowledge of physical properties at the atomic scale. The magnetic anisotropy is a key property in these materials.
N. Soriano   +16 more
doaj   +1 more source

Collapse of the simple localized 3d^{1} orbital picture in Mott insulator

open access: yesPhysical Review Research, 2020
The orbital degree of freedom of electrons greatly influences the physical properties of materials such as magnetic order and unconventional superconductivity.
Shunsuke Kitou   +10 more
doaj   +1 more source

Orbital angular momentum 25 years on [invited] [PDF]

open access: yes, 2017
Twenty-five years ago Allen, Beijersbergen, Spreeuw, and Woerdman published their seminal paper establishing that light beams with helical phase-fronts carried an orbital angular momentum. Previously orbital angular momentum had been associated only with
Padgett, Miles J.
core   +1 more source

A Theoretical Study on the Medicinal Properties and Eletronic Structures of Platinum(IV) Anticancer Agents With Cl Substituents

open access: yesFrontiers in Oncology, 2022
In this paper, we selected Pt(en)Cl4, Pt(dach)Cl4, and Pt(bipy)Cl4 with gradually increasing ligands to explore the ligand effect on the properties of platinum(IV) anticancer drugs.
Xiaoyang Yan, Hongwei Gao
doaj   +1 more source

Dynamics of N5+-H electron capture in Debye plasmas

open access: yesMatter and Radiation at Extremes, 2016
The electron capture in N5+-H collisions imbedded in a Debye plasma is studied by using the two-center atomic orbital close-coupling method in the energy range from 1 keV/u to 200 keV/u.
L. Liu, J.G. Wang
doaj   +1 more source

Orbital contribution to the magnetic properties of nanowires: Is the orbital polarization ansatz justified? [PDF]

open access: yes, 2006
We show that considerable orbital magnetic moments and magneto-crystalline anisotropy energies are obtained for a Fe monatomic wire described in a tight-binding method with intra-atomic electronic interactions treated in a full Hartree Fock (HF ...
(UA   +19 more
core   +6 more sources

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