相关论文: Threshold concentration for H blistering in defect…

The processes of hole localization in double-doped PbWO_4:Mo,La and PbWO_4:Mo,Y single crystals have been studied by continuous wave and pulse electron spin resonance (ESR) and thermally stimulated luminescence (TSL) methods. We show that…

At very low density, the electrons in a uniform electron gas spontaneously break symmetry and form a crystalline lattice called a Wigner crystal. But which type of crystal will the electrons form? We report a numerical study of the density…

We present a study of the self-interstitial point defect formation energies in silicon using a range of quantum chemical theories including the coupled cluster (CC) method within a periodic supercell approach. We study the formation…

High redshift quasars at z>6 have masses up to ~$10^9$ M$_\odot$. One of the pathways to their formation includes direct collapse of gas, forming a supermassive star, precursor of the black hole seed. The conditions for direct collapse are…

Charge centers in ionic crystals provide a channel for elementary interaction between electromagnetic radiation and the lattice. We calculate the electronic ground state energies which are needed to create a charge center -- namely a $F$-…

We investigate the native point defects in the long-wavelength infrared (LWIR) detector material Hg$_{0.75}$Cd$_{0.25}$Te using a dielectric-dependent hybrid density functional combined with spin-orbit coupling. Characterizing these point…

In general, HII regions do not show clear signs of self-enrichment in products from massive stars (M > 8 M_sun). In order to explore why, I modeled the contamination with Wolf-Rayet star ejecta of metal-poor (Z=0.001) HII regions, ionised…

The effects of high concentration of point defects in crystalline ZrSiO4 as originated by exposure to radiation, have been simulated using first principles density functional calculations. Structural relaxation and vibrational studies were…

A novel spin density wave (SDW) instability mechanism enhanced by vortices under fields is proposed to explain the high field and low temperature (HL) phase in CeCoIn$_5$. In the vortex state the strong Pauli effect and the nodal gap…

We present deep spectroscopic (3600 - 24700 A) X-shooter observations of the bright Herbig-Haro object HH1, one of the best laboratories to study the chemical and physical modifications caused by protostellar shocks on the natal cloud. We…

Defects in crystalline silicon consisting of a silicon self-interstitial atom and one, two, three, or four hydrogen atoms are studied within density-functional theory (DFT). We search for low-energy defects by starting from an ensemble of…

Machine learning is changing how we design and interpret experiments in materials science. In this work, we show how unsupervised learning, combined with ab initio modeling, improves our understanding of structural metastability in…

Vector boson scatterings are fundamental processes to shed light on the nature of the electroweak symmetry breaking mechanism. Deviations from the Standard Model predictions on the corresponding observables can be interpreted in terms of…

Recent spectroscopic observations of the [C II] 158$\,\mathrm{\mu m}$ fine-structure line of ionized carbon (C$^+$), using the Stratospheric Observatory for Infrared Astronomy (SOFIA), have revealed expanding [C II] shells in Galactic H II…

By solving self-consistently an effective Hamiltonian including interactions for both antiferromagnetic spin-density wave (SDW) and d-wave superconducting (DSC) orderings, a comparison study is made for the local magnetic structure around…

On the basis of shear modulus measurements on a Pt-based glass, we calculated temperature dependence of the defect concentration c using the Interstitialcy theory. This temperature dependence is compared with temperature dependence of the…

Although charge-density wave (CDW) correlations exist in several families of cuprate supercon-ductors, they exhibit substantial variation in CDW wavevector and correlation length, indicating a key role for CDW-lattice interactions. We…

Several models for type Ia-like supernovae events rely on the production of a self-sustained detonation powered by nuclear reactions. In the absence of hydrogen, the fuel that powers these detonations typically consists of either pure…

The intrinsic optical properties and peculiarities of the energy structure of hafnium dioxide largely determine the prospects for applying the latter in new generation devices of optoelectronics and nanoelectronics. In this work, we have…

White dwarfs (WDs) that accrete helium at rates $\sim 10^{-8} \, M_\odot \, \rm yr^{-1}$, such as those in close binaries with sdB stars, can accumulate large ($\gtrsim 0.1 \, M_\odot$) helium envelopes which are likely to detonate. We…