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The control of spins and spin to charge conversion in organics requires understanding the molecular spin-orbit coupling (SOC), and a means to tune its strength. However, quantifying SOC strengths indirectly through spin relaxation effects…

A scheme for decoupling and selectively recoupling large networks of dipolar-coupled spins is proposed. The scheme relies on a combination of broadband, decoupling pulse sequences applied to all the nuclear spins with a band-selective pulse…

Quantum Physics · Physics 2007-05-23 Fumiko Yamaguchi , Thaddeus D. Ladd , Cyrus P. Master , Yoshihisa Yamamoto , Navin Khaneja

We present an extension of the dynamical cluster approximation (DCA) that incorporates Rashba spin-orbit coupling (SOC) to investigate the interplay between disorder, spin-orbit interaction, and nonlocal spatial correlations in disordered…

Disordered Systems and Neural Networks · Physics 2025-12-09 Yongtai Li , Gour Jana , Chinedu E. Ekuma

We develop a methodology for calculating, analyzing and visualizing nuclear magnetic shielding densities, which are calculated from the current density via the Biot-Savart relation. Atomic contributions to nuclear magnetic shielding…

Chemical Physics · Physics 2021-12-22 Rahul Kumar Jinger , Heike Fliegl , Radovan Bast , Maria Dimitrova , Susi Lehtola , Dage Sundholm

We present a scheme of surface-sensitive nuclear magnetic resonance in optically pumped semiconductors, where an NMR signal from a part of the surface of a bulk compound semiconductor is detected apart from the bulk signal. It utilizes…

Mesoscale and Nanoscale Physics · Physics 2008-09-12 Atsushi Goto , Tadashi Shimizu , Kenjiro Hashi , Shinobu Ohki

Spin-orbit coupling (SOC) plays a crucial role in determining the spin structure of an odd parity psedospin-triplet Cooper pairing state. Here, we present a thorough study of how SOC lifts the degeneracy among different p-wave…

Superconductivity · Physics 2020-02-11 Zhiqiang Wang , Xin Wang , Catherine Kallin

We derive the equation of state of symmetric nuclear matter in a relativistic theory with $\sigma$ and $\omega$ exchange. We take a chiral version of this model which insures all the chiral constraints. Going beyond the mean field approach…

Nuclear Theory · Physics 2008-11-26 G. Chanfray , M. Ericson

Experimental NMR implementations of the Deutsch-Josza quantum algorithm based on pesudo-pure spin states exhibit an exponential sensitivity scaling with the number of qubits. By employing truly mixed spin states in spin Liouville space,…

Quantum Physics · Physics 2016-08-15 F. M. Woodward , R. Brüschweiler

In the context of correlated insulators, where electron-electron interactions (U) drive the localization of charge carriers, the metal-insulator transition (MIT) is described as either bandwidth (BC) or filling (FC) controlled. Motivated by…

An overview of our experimental program to search for axion and axion-like-particle (ALP) dark matter using nuclear magnetic resonance (NMR) techniques is presented. An oscillating axion field can exert a time-varying torque on nuclear…

Effective spin mixing conductance (ESMC) across the nonmagnetic metal (NM)/ferromagnet interface, spin Hall conductivity (SHC) and spin diffusion length (SDL) in the NM layer govern the functionality and performance of pure spin current…

Materials Science · Physics 2016-09-02 L. Ma , H. A. Zhou , L. Wang , X. L. Fan , W. J. Fan , D. S. Xue , K. Xia , G. Y. Guo , S. M. Zhou

We study the effects of atomic vibrations on the solid-state chemical shielding tensor using first principles density functional theory calculations. At the harmonic level, we use a Monte Carlo method and a perturbative expansion. The Monte…

Materials Science · Physics 2014-10-07 Bartomeu Monserrat , Richard J. Needs , Chris J. Pickard

We present two theoretical schemes for spin filters in one-dimensional semiconductor quantum wires with spatially modulated Rashba spin-orbit coupling (SOC) as well as weak magnetic potential. For case I, the SOC is periodic and the weak…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 S. J. Gong , Z. Q. Yang

We implement several non-binary logic systems using the spin dynamics of nuclear spins in nuclear magnetic resonance (NMR). The NMR system is a suitable test system because of its high degree of experimental control; findings from NMR…

Emerging Technologies · Computer Science 2015-12-03 Pedro M. Aguiar , Robert Hornby , Cameron McGarry , Simon O'Keefe , Angelika Sebald

Nuclear Magnetic Resonance (NMR) is an intriguing quantum-mechanical effect that is used for daily life medical diagnostics and chemical analysis alike. Numerous advancements have contributed to the success of the technique, including…

Chemical Physics · Physics 2020-04-28 Andrey N. Pravdivtsev , Frank D. Sönnichsen , Jan-Bernd Hövener

We propose a computationally efficient atom-superposition-based method for simulating spin-polarized scanning tunneling spectroscopy (SP-STS) on complex magnetic surfaces based on the sample and tip electronic structures obtained from first…

Materials Science · Physics 2012-05-17 Krisztián Palotás , Werner A. Hofer , László Szunyogh

In recent years, spin Hall magnetoresistance (SMR) has emerged as an efficient way to probe the spontaneous magnetization state in ordered magnetic systems, by electrical current. Less known is its versatility as a probe of materials that…

Materials Science · Physics 2023-07-26 V. Eswara Phanindra , A. Das , J. J. L. van Rijn , S. Chen , B. J. van Wees , T. Banerjee

We consider the archetypal frustrated antiferromagnet SrCr$_{9p}$Ga$_{12-9p}$O$_{19}$ in its well-known spin-liquid state, and demonstrate that a Cr$^{3+}$ spin $S=3/2$ ion in direct proximity to a pair of vacancies (in disordered $p<1$…

Strongly Correlated Electrons · Physics 2015-05-19 Arnab Sen , Kedar Damle , Roderich Moessner

The polarizability measures how the system responds to an applied electrical field. Computationally, there are many different ways to evaluate this tensorial quantity, some of which rely on the explicit use of the external perturbation and…

Materials Science · Physics 2007-10-16 Micael J. T. Oliveira , Alberto Castro , Miguel A. L. Marques , Angel Rubio

We propose the multi-state complete-active-space second-order perturbation theory spin-orbit method (MS-CASPT2-SO) for electronic structure calculations. It is a two-step spin-orbit coupling method that does not make use of energy shifts…

Chemical Physics · Physics 2010-12-30 Zoila Barandiaran , Luis Seijo
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