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We perform density functional theory calculations using Gaussian atomic-orbital methods within the generalized gradient approximation for the exchange and correlation to study the interactions in the bare and hydrogenated platinum clusters.…

Atomic and Molecular Clusters · Physics 2009-11-11 Ali Sebetci

Spin-orbit coupling (SOC) plays an important role in determining the structural and electronic properties of recently proposed two-dimensional planar pentagonal materials. In this work, density functional theory calculations are employed to…

We consider the effect of spin-orbit coupling on the low energy excitation spectrum of an Andreev billiard (a quantum dot weakly coupled to a superconductor), using a dynamical numerical model (the spin Andreev map). Three effects of…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 B. Béri , J. H. Bardarson , C. W. J. Beenakker

The effect of spin-orbit coupling on the electronic structure of the layered iron-free pnictide superconductor, SrPtAs, has been studied using the full potential linearized augmented plane wave method. The anisotropy in Fermi velocity,…

Superconductivity · Physics 2012-02-09 S. J. Youn , S. H. Rhim , D. F. Agterberg , M. Weinert , A. J. Freeman

We study why gold forms planar and cage-like clusters while copper and silver do not. We use density functional theory and norm-conserving pseudo-potentials with and without a scalar relativistic component. For the exchange-correlation…

Other Condensed Matter · Physics 2007-05-23 Eva M. Fernandez , Jose M. Soler , L. C. Balbas

We studied the structural and the electronic properties of ionized and neutral small Au clusters via plane wave pseudopotential calculations. All except the anionic heptamer favor one-dimensional zigzag structures or two-dimensional…

Materials Science · Physics 2016-02-17 Byeong June Min , Won Chul Shin , Jae Ik Park

The influence of spin-orbit interaction on chemical bonds in elemental solids and homonuclear dimers is analyzed by means of density-functional-theory calculations. Employing highly precise all-electron full-potential methodology, our…

Materials Science · Physics 2022-04-07 Andris Gulans , Claudia Draxl

Synthetic spin-orbit coupling in cold atoms couples the pseudo-spin and spatial degrees of freedom, and therefore the inherent spin symmetry of the system plays an important role. In systems of two pseudo-spin degrees, two particles contain…

Quantum Gases · Physics 2025-02-05 Ayaka Usui , Abel Rojo-Francàs , James Schloss , Bruno Juliá-Díaz

A new strategy of fitting the coupling constants of the nuclear energy density functional is proposed, which shifts attention from ground-state bulk to single-particle properties. The latter are analyzed in terms of the bare single-particle…

Nuclear Theory · Physics 2008-11-26 M. Zalewski , J. Dobaczewski , W. Satula , T. R. Werner

Using first-principles density-functional theory (DFT) calculations, we investigate the 4/3-monolayer structure of Pb on the Si(111) or Ge(111) surface within the two competing structural models termed the H$_3$ and T$_4$ structures. We…

Computational Physics · Physics 2016-09-21 Xiao-Yan Ren , Hyun-Jung Kim , Seho Yi , Yu Jia , Jun-Hyung Cho

We incorporate spin-orbit coupling (SOC) into effective Kugel-Khomskii models for the $n=1$ and $n=2$ members of the Ruddlesden-Popper series Sr$_{n+1}$Cr$_n$O$_{3n+1}$. These model contain interacting spins 1 and pseudospins 1/2 at each…

Strongly Correlated Electrons · Physics 2026-04-01 Cristian Fanjul , A. A. Aligia

One of the most fundamental properties of electromagnetism and special relativity is the coupling between the spin of an electron and its orbital motion. This is at the origin of the fine structure in atoms, the spin Hall effect in…

Mesoscale and Nanoscale Physics · Physics 2015-04-22 V. G. Sala , D. D. Solnyshkov , I. Carusotto , T. Jacqmin , A. Lemaître , H. Terças , A. Nalitov , M. Abbarchi , E. Galopin , I. Sagnes , J. Bloch , G. Malpuech , A. Amo

We examine the effects of spin-orbit and spin-spin coupling on the inspiral of a coalescing binary system of spinning compact objects and on the gravitational radiation emitted therefrom. Using a formalism developed by Blanchet, Damour, and…

General Relativity and Quantum Cosmology · Physics 2009-10-28 Lawrence E. Kidder

Spin-polarization is known to lead to important {\it magnetic} and {\it optical} effects in open-shell atoms and elemental solids, but has rarely been implicated in controlling {\it structural} selectivity in compounds and alloys. Here we…

mtrl-th · Physics 2009-10-28 Z. W. Lu , B. M. Klein , A. Zunger

Using an extended Tavis-Cummings model, we study the effect of the spin-orbit coupling between the singlet and the triplet molecular excitons in organic microcavities in the strong coupling regime. The model is solved in the single…

Quantum Gases · Physics 2022-10-11 M. Ahsan Zeb , Shoaib Masood

We analyze the impact of the magnetic anisotropy on the geometric structure and magnetic ordering of small atomic clusters of palladium, iridium, platinum and gold, using Density Functional Theory. Our results highlight the absolute need to…

Materials Science · Physics 2007-11-06 Lucas Fernández-Seivane , Jaime Ferrer

Spin-orbit coupling in crystals is known to lead to unusual direction dependent exchange interactions, however understanding of the consequeces of such effects in molecular crystals is incomplete. Here we perform four component relativistic…

Strongly Correlated Electrons · Physics 2017-04-19 A. C. Jacko , A. L. Khosla , J. Merino , B. J. Powell

Theory of dilution effect in orbital ordered system is presented. The $e_g$ orbital model without spin degree of freedom and the spin-orbital coupled model in a three-dimensional simple-cubic lattice are analyzed by the Monte-Carlo…

Strongly Correlated Electrons · Physics 2009-11-13 Takayoshi Tanaka , Sumio Ishihara

The presence of spin-orbit scattering within an aluminum nanoparticle affects measurements of the discrete energy levels within the particle by (1) reducing the effective g-factor below the free-electron value of 2, (2) causing avoided…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 D. G. Salinas , S. Guéron , D. C. Ralph , C. T. Black , M. Tinkham

Gravitational waves provide us with a new window into our Universe, and have already been used to place strong constrains on the existence of light scalar fields, which are a common feature in many alternative theories of gravity. However,…

General Relativity and Quantum Cosmology · Physics 2021-10-28 Philippe Brax , Anne-Christine Davis , Scott Melville , Leong Khim Wong
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