相关论文: Revealing atomic-scale vacancy-solute interaction …
Angle-resolved photoemission spectroscopy (ARPES) combined with band structure calculations have shown that the layered transition metal dichalcogenide(TMD) NiTe$_2$ is a type-II Dirac semimetal. However, conflicting conclusions were…
A systematic study of the compression creep properties of a single-crystalline Co-base superalloy (Co-9Al-7.5W-2Ta) was conducted at 950 {\deg}C, 975 {\deg}C and 1000 {\deg}C to reveal the influence of temperature and the resulting…
The electrochromic response of Ni-deficient NiO is governed by vacancy-mediated electronic processes that can be strongly influenced by dopant chemistry and lattice deformation. Using density functional theory, we systematically…
We consider the disordering dynamics of an interacting binary alloy with a small admixture of vacancies which mediate atom-atom exchanges. Starting from a perfectly phase-segregated state, the system is rapidly heated to a temperature in…
TiSe2 is a member of transition metal dichalcogenide family of layered van-der-Waals materials that exhibits some distinctive electronic and optical properties. Here, we perform Raman spectroscopy studies on single crystal TiSe2 to…
The influence of electrostatic interactions on the ordering of sodium ions in Na$_x$CoO$_2$ is studied theoretically through Monte-Carlo simulations. For large $x$ small di- or tri-vacancy clusters are stable with respect to isolated Na…
Similarities between alkali gases in optical lattices with non-integer occupation of the lattice sites and quantum crystals are explored. The analogy with the vacancy liquid (VL) provides an alternative explanation to the Mott transition…
The intercalation of guest species into the gap of van der Waals materials often leads to the emergence of intriguing phenomena, such as superconductivity. While intercalation-induced superconductivity has been reported in several bulk…
Extensive first-principle calculations on embedded clusters containing few O, Y, Ti, and Cr atoms as well as vacancies are performed to obtain interaction parameters to be applied in Metropolis Monte Carlo simulations, within the framework…
Co-base superalloys are considered as promising high temperature materials besides the well-established Ni-base superalloys. However, Ni appears to be an indispensable alloying element also in Co-base superalloys. To address the influence…
The paper presents the results of molecular dynamics study of the viscosity of nickel-containing binary metal melts for a wide range of temperatures, including the region of the equilibrium liquid phase and supercooled melt. It is shown…
A central challenge in developing magnetically coupled quantum registers in diamond is the fabrication of nitrogen vacancy (NV) centers with localization below ~20 nm to enable fast dipolar interaction compared to the NV decoherence rate.…
There is compelling cosmological and astrophysical evidence of dark matter comprising 27% of the energy budget of the Universe. However, dark matter has never been observed in direct detection experiments. The long-time favorite model of…
The relationship between vacancy ordering and magnetism in TlFe1.6Se2 has been investigated via single crystal neutron diffraction, nuclear forward scattering, and transmission electron microscopy. The examination of chemically and…
Although electron energy loss near edge structure analysis provides a tool for experimentally probing unoccupied density of states, a detailed comparison with simulations is necessary in order to understand the origin of individual peaks.…
Native defects in semiconductors play an important role in their optoelectronic properties. Nickel oxide (NiO) is one of the few wide-gap p-type oxide semiconductors and its conductivity is believed to be controlled primarily by Ni-vacancy…
The Nabarro-Herring (N-H) diffusional creep theory postulates the vacancy-mediated transport of atoms under a stress gradient as the creep mechanism under low-stress and high-temperature conditions. In multicomponent alloys, we premise that…
We present a novel, self-consistent and robust theoretical model to investigate elastic interactions between topological defects in liquid crystal shells. Accounting for the non-concentric nature of the shell in a simple manner, we are able…
Frequency shifts, radiative decay rates, the Ohmic loss contribution to the nonradiative decay rates, fluorescence yields, and photobleaching of a two-level atom radiating anywhere inside or outside a complex spherical nanoshell, i.e. a…
The existence of the miscibility gap in the Cu-Ni system has been an issue in both computational and experimental discussions for half a century [Chakrabarti et al., Phase diagrams of binary nickel alloys, ASM, 1991]. Here we propose a new…