Search arXivSearch

arXiv · cond-mat/0606737

The study of electronic and magnetic properties of the partially disordered pseudo-Heusler alloy Co2Fe0.4Cr0.6Al : an augmented space approach

Abstract

In this communication we present a study of the electronic structure of partially disordered bulk and (100) thin film of quaternary pseudo-Heusler alloy Co$_2$Fe$_{0.4}$Cr$_{0.6}$Al in the L2$_1$ phase using the Augmented Space recursion (ASR) in a scalar-relativistic tight binding linear muffin-tin orbitals (TB-LMTO) basis. We study the orbital resolved magnetic moment contributions of the constituents of the alloy. Our theoretical predictions match well with the available experimental observations for the magnetic moments of Fe and Co but they overestimate that of Cr. For a (100) thin film, layer as well as orbital resolved properties have been studied.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

1. Monodeep Chakraborty 2. Atisdipankar Chakrabarti 3. Abhijit Mookerjee. 2006-06-29. The study of electronic and magnetic properties of the partially disordered pseudo-Heusler alloy Co2Fe0.4Cr0.6Al : an augmented space approach. https://arxiv.org/abs/cond-mat/0606737

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

Unifying Physical Backpropagation

Physical computing systems exploit device dynamics for computation, but their gradient-based optimization is challenging: backpropagation through a digital twin suffers from a model-reality gap. On-device gradient computation could resolve this issue, and a handful of theoretical and experimental studies have proposed ways to achieve it. Yet a unifying theory identifying when a physical system can compute the gradient of its own performance has been missing. Here we develop such a unification based on the adjoint method: we identify sufficient conditions under which the adjoint field required for formally exact gradients can be generated on the same hardware that performs the computation. Linear and nonlinear systems obey fundamentally different conditions: for linear systems, damping or gain is admissible provided reciprocity is preserved. For nonlinear trajectory systems, the sufficient conditions are reciprocity of the linearized system and the existence of a time-reversal mirror. Algorithmically, the nonlinear case requires infinitesimal nudging, whereas linear systems admit a finite-amplitude experiment. We recover (quantum) Equilibrium Propagation, Hamiltonian echo backpropagation, fully forward mode training and in situ gradient methods in integrated-photonic and free-space-optical systems. Finally, we show that reciprocity is a special case of more general intertwining conditions. For linear systems, these permit exact on-device gradients in a class of non-Hermitian, non-reciprocal systems. For nonlinear trajectories, they combine with generalized time-reversal mirrors to cover, e.g., PT-symmetric equations. The framework also includes time-dependent parameters and Onsager-reciprocal dynamics, providing a unified basis for formally exact physical learning.

cond-mat.dis-nn

Rank-One Signal Recovery in Sparse Wishart Noise

We study the high-dimensional recovery of a signal vector $\mathbf{x}$ in the presence of sparse Wishart-like noise. We define an $N \times N$ matrix $A = J+(θ/N)\mathbf{xx}^{\top}$, where $\mathbf{xx}^{\top}$ is the rank-one deformation of the random noise matrix $J$. We consider a Wishart-like matrix $J={X}^{\top} X$, where $X$ is a sparse $M \times N$ random matrix with entries $X_{ij} = c_{ij}W_{ij}$, with $c_{ij}$ regulating the density of non-zero elements, and $W_{ij}$ the bond weights. Using the replica method, we compute analytically the top eigenpair statistics of $A$, and their dependence on the signal strength $θ$, the rectangularity ratio $α=\sqrt{M/N}$, and the average connectivity of the noise. The spectral observables are expressed in terms of a system of Recursive Distributional Equations, which are efficiently solved via a Population Dynamics algorithm. They allow us to compute the average largest eigenvalue $\langleλ_1\rangle_{A}$, the average top eigenvector component density, and the average overlap between the top eigenvector of $A$ and $\mathbf{x}$. We identify a critical threshold $θ_{\mathrm{crit}}$--depending on the average connectivity of the noise--that marks a BBP-like phase transition: below this value, $\langleλ_1\rangle_{A}$ is unaffected by the signal, and the overlap vanishes. Thus, the signal is not recoverable from the top eigenvector of $A$. For $θ>θ_{\mathrm{crit}}$, the signal-related outlier eigenvalue becomes $\langleλ_1\rangle_{A}$ and the overlap is nonzero, allowing for recovery of the signal. The results are in excellent agreement with numerical diagonalisation. We show that in the dense limit, the recovery threshold and eigen-statistics converge to the results predicted by the classical BBP transition for additive rank-one deformations of dense Wishart matrices.

cond-mat.dis-nn

Topological Fingerprints of Commensurate Order in Twisted Moiré Lattices

Moiré patterns in twisted bilayer materials exhibit long-range periodic order that is highly sensitive to twist angle. Identifying commensurate angles from real-space atomic structures remains challenging, as spectral and geometric methods emphasize global periodicity and are sensitive to disorder and finite-size effects. Here, we introduce a data-driven topological framework that quantifies moiré periodicity by treating atomic configurations as point-cloud data and extracting multiscale signatures using persistent homology. At the core of our approach is a small-neighborhood separation filter that removes redundant local motifs in persistence diagrams while preserving key structural features, enabling sharp minima in Wasserstein distances between twisted and untwisted reference configurations that accurately recover commensurate angles. We benchmark this framework against geometric and spectral similarity measures and show that the resulting topological descriptors remain stable under positional disorder ranging from weak to strong perturbations in the bond length. We further transfer these descriptors using a constrained Gaussian process surrogate to sparsely sampled configurations of a twisted MoTe$_2$ dichalcogenide bilayer. These results establish topological descriptors with neighborhood separation as a robust framework for identifying commensurate order in moiré systems and tracking commensurate structural similarity under disorder, sparsity, and finite-size effects.

cond-mat.dis-nn