Related papers: A path-integral molecular dynamics simulation of d…
We demonstrate an efficient and accurate, general-purpose first-principles blueprint for calculating anharmonic vibrational free energy and predicting structural phase transition temperatures of solids. Thermodynamic integration is…
A new formulation is presented to treat thermal and quantum fluctuations around the kaon condensate on the basis of chiral symmetry; separating the zero-mode from the beginning and using the path-integral method, we can formulate the…
Scalable quantum networks rely on optical connections between long-lived qubits to distribute entanglement. Tin vacancies in diamond have emerged as promising long-lived qubits, offering extended spin coherence times at liquid helium…
The pressure-volume relationship and the zone-center optical phonon frequency of cubic diamond at pressures up to 600 GPa have been calculated based on Density Functional Theory within the Local Density Approximation and the Generalized…
A combined experimental and numerical study on the variation of the elastic properties of defective single-crystal diamond is presented for the first time, by comparing nano-indentation measurements on MeV-ion-implanted samples with…
We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics of crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away…
Understanding the anharmonic phonon properties of crystal compounds -- such as phonon lifetimes and thermal conductivities -- is essential for investigating and optimizing their thermal transport behaviors. These properties also impact…
Part I shows that quantitative measurements of heat capacity are theoretically possible inside diamond anvil cells via high-frequency Joule heating (100 kHz to 10 MHz), opening up the possibility of new methods to detect and characterize…
We present a microscopic theory for ultrafast control of solids with high-intensity terahertz frequency optical pulses. When resonant with selected infrared-active vibrations, these pulses transiently modify the crystal structure and lead…
In this paper, we study the optical properties of single defects emitting in the near infrared in nanodiamonds at liquid helium temperature. The nanodiamonds are synthesized using a microwave chemical vapor deposition method followed by…
Symmetry considerations are used in presenting a model of the electronic structure and the associated dynamics of the nitrogen-vacancy center in diamond. The model accounts for the occurrence of optically induced spin polarization, for the…
Molecular motion at metallic surfaces is affected by nonadiabatic effects and electron-phonon coupling. The ensuing energy dissipation and dynamical steering effects are not captured by classical molecular dynamics simulations, but can be…
We study spectroscopy of negatively charged nitrogen-vacancy center in diamond at high temperatures under high vacuum conditions. Spin resonances are studied using optical detection of magnetic resonance (ODMR), and optical spectroscopy is…
Two dimensional electronic spectroscopy and transient grating measurements were performed, for the first time, on nitrogen-vacancy centers in diamond. These measurements reveal energy transfer and vibrational pathways with consequences for…
Low-temperature scanning tunneling microscopy is used here to study dynamic bonding of gold atoms on surfaces under low coordination conditions. In the experiments, using an atomically-sharp gold tip, a gold adatom is deposited onto a gold…
Nitrogen-vacancy (NV) center in diamond is an ideal candidate for quantum sensors because of its excellent optical and coherence property. However, previous studies are usually conducted at low or room temperature. The lack of full…
We investigate the influence of the electron-phonon interaction on the decay dynamics of a quantum dot coupled to an optical microcavity. We show that the electron-phonon interaction has important consequences on the dynamics, especially…
Quantum many-body systems driven far from equilibrium can exhibit chaos, entanglement, and non-classical correlations, yet directly observing these phenomena in large, closed quantum systems remains challenging. Here we realize the Dicke…
Using an atomistic model that simultaneously treats the dynamics of translational and spin degrees of freedom, we perform combined molecular and spin dynamics simulations to investigate the mutual influence of the phonons and magnons on…
The optical properties of defects in solids produce rich physics, from gemstone coloration to single-photon emission for quantum networks. Essential to describing optical transitions is electron-phonon coupling, which can be predicted from…