Related papers: NMR chemical shielding for solid-state systems usi…
We derive a general formula for the paramagnetic NMR nuclear shielding tensor of an open-shell molecule in a pure spin state, subject to a zero-field splitting (ZFS). Our findings are in contradiction with a previous proposal. We present a…
Recent experimental realization of one-dimensional (1D) spin-orbit coupling (SOC) for ultracold alkaline-earth(-like) atoms in optical lattice clocks opens a new avenue for exploring exotic quantum matter because of the strongly suppressed…
We introduce a novel NMR approach that extends the capabilities of indirect dynamic nuclear polarization (DNP) under magic-angle spinning to probe the local environment of half-integer spin quadrupolar nuclei. Compared to…
$^{13}$C nuclear magnetic resonance measurements were performed for a single-component molecular material Zn(tmdt)$_{2}$, in which tmdt's form an arrangement similar to the so-called ${\kappa}$-type molecular packing in…
Nuclear magnetic resonance (NMR) is a powerful method for determining the structure of molecules and proteins. While conventional NMR requires averaging over large ensembles, recent progress with single-spin quantum sensors has created the…
We demonstrate ionization of a molecule with the bias voltage of a Scanning Tunnelling Microscope (STM) resulting in a coexistence of a neutral and ionic molecules, i.e. radical (paramagnetic) and non-radical (diamagnetic) states. This…
Spin-orbit coupling (SOC) often gives rise to interesting electronic and magnetic phases in an otherwise ordinary pool of paramagnetic heavy metal oxides. In presence of strong SOC, assumed to be working in $j$-$j$ coupling regime, 5$d^4$…
We present a methodology for probing the details of electronic susceptibility through minimally-invasive nuclear magnetic resonance techniques. Specifically, we classify electron-mediated long-range interactions in an ensemble of nuclear…
Electronic spin superposition states enable nanoscale sensing through their sensitivity to the local environment, yet their sensitivity to vibrational motion also limits their coherence times. In molecular spin systems, chemical tunability…
We show that, under an appropriate out-of-plane static magnetic field, nuclear spins in a thin specimen on a surface acoustic wave (SAW) cavity can be resonantly excited and detected through spin-rotation coupling. Since such a SAW cavity…
Neuromorphic computing is at the basis of the recent progress in artificial intelligence. But the progress is accompanied with increasing demands in computational resources and power supply. Reservoir neuromorphic computing uses a…
Spin-orbit interaction affects the band structure of topological insulators beyond the opening of an inverted gap in the bulk bands, and the understanding of its effects on the surface states is of primary importance to access the…
Spin-orbit interaction accounts for the coupling of momentum and spin degrees of freedom of electrons and holes in semiconductor materials. In quantum information processing, it allows for electrical control of spin states and for the…
We theoretically study three-dimensional topological semimetals (TSMs) with nodal lines protected by crystalline symmetries. Compared with TSMs with point nodes, e.g., Weyl semimetals and Dirac semimetals, where the conduction and the…
We report our nuclear magnetic resonance (NMR) study on the structurally spin chain compound Ni$_2$NbBO$_6$ with complex magnetic coupling. The antiferromagnetic transition is monitored by the line splitting resulting from the staggered…
The Chain-of-states(CoS) methods like nudge elastic band(NEB) method can be used to determine the minimum energy path (MEP) and transition state (TS) between two end local minima. However, the CoS methods are inefficient for difficult cases…
Spin-orbit coupling (SOC) plays an essential role in many exotic and interesting phenomena in condensed matter physics. In neutral-atom-based quantum simulations, synthetic SOC constitutes a key enabling element. The strength of SOC…
We develop energy efficient, continuous microwave schemes to couple electron and nuclear spins, using phase or amplitude modulation to bridge their frequency difference. These controls have promising applications in biological systems,…
We perform sensitive nuclear magnetic resonance (NMR) with spin ensembles which are polarized by nitrogen vacancy centers (NV centers) in diamond at room-temperature. With a near shot-noise-limited photoluminescence detection and a highly…
Molecular orbital theory is powerful both as a conceptual tool for understanding chemical bonding, and as a theoretical framework for ab initio quantum chemistry. Despite its undoubted success, MO theory has well documented shortcomings,…