相关论文: Study of Phase Stability in NiPt Systems
Although Niobium is a well characterized material it still shows some anomalies that are not yet understood. Therefore we revisit its metastable phases using density functional theory. First, we systematically compare energies and ground…
The phase structure of the lattice CP($N-1$) model in two dimensions is analyzed by the tensor renormalization group (TRG) method. We focus on the case $N=2$ and compare the numerical result of the TRG method with that of the…
We present an accurate implementation of total energy calculations into the local density approximation plus dynamical mean-field theory (LDA+DMFT) method. The electronic structure problem is solved through the full potential linear…
Examining phase stabilities and phase equilibria in strongly correlated materials asks for a next level in the many-body extensions to the local-density approximation (LDA) beyond mainly spectroscopic assessments. Here we put the…
In this communication we have studied the electronic structure, magnetic and optical properties of bcc \fecr alloys in the ferromagnetic phase. We have used the augmented space recursion technique coupled with tight-binding linearized…
The classification of the ground-state phases of complex one-dimensional electronic systems is considered in the context of a fixed-point strategy. Examples are multichain Hubbard models, the Kondo-Heisenberg model, and the one-dimensional…
Stability of solitons in parity-time (PT)-symmetric periodic potentials (optical lattices) is analyzed in both one- and two-dimensional systems. First we show analytically that when the strength of the gain-loss component in the PT lattice…
The discovery of quasicrystals phases and approximants in Al(rich)-Mn system has revived the interest for complex aluminides containing transition-metal atoms. On one hand, it is now accepted that the Hume-Rothery stabilization plays a…
We present here a reciprocal space formulation of the Augmented space recursion (ASR) which uses the lattice translation symmetry in the full augmented space to produce configuration averaged quantities, such as spectral functions and…
The problem of $\mathcal{L}_2$ stabilization of a state feedback stochastic control loop is investigated under different constraints. The discrete time linear time invariant (LTI) open loop plant is chosen to be unstable. The additive white…
A limitation common to all extensions of random-phase approximation including only particle-hole configurations is that they violate to some extent the energy weighted sum rules. Considering one such extension, the improved RPA (IRPA),…
In this paper, we develop a methodology for finite time rotor angle stability analysis using the theory of normal hyperbolic surfaces. The proposed method would bring new insights to the existing techniques, which are based on asymptotic…
We investigate the relationship between stability, adiabaticity and transfer efficiency in a \Lambda-type atom-molecule coupling system via a nonlinear stimulated Raman adiabatic passage. We find that only when the pump and control lasers…
We study the problem of stabilizing an unknown partially observable linear time-invariant (LTI) system. For fully observable systems, leveraging an unstable/stable subspace decomposition approach, state-of-art sample complexity is…
We investigate lamellar three-phase patterns that form during the directional solidification of ternary eutectic alloys in thin samples. A distinctive feature of this system is that many different geometric arrangements of the three phases…
A new theoretical approach to study the properties in solids, which are sensitive to a change of densities of the valence electrons in atomic cores (hyperfine structure constants, parameters of space parity (P) and time reversal (T)…
We examine the influence of the relativistic effects within the linear augmented plane wave method (LAPW) for solids and propose a few alternative ways to accurately take them into account: (1) we introduce new radial dependencies for LAPW…
We use a combination of conventional density functional theory (DFT) and post-DFT methods, including the local density approximation plus Hubbard $U$ (LDA+$U$), PBE0, and self-consistent $GW$ to study the electronic properties of…
By means of molecular-dynamics simulations, temperature driven diffusionless structural phase transitions in equi- and nearly equiatomic ordered nickel-titanium alloys were investigated. For this purpose, a model potential from the…
This paper focuses on the mathematical approaches to the analysis of stability that is a crucial step in the design of dynamical systems. Three methods are presented, namely, absolutely integrable impulse response, Fourier integral, and…