3d−4d hybridization anomaly in NixPd1−x alloys at quantum critical point. (July 2017)

• Record Type: Journal Article
• Authors: Swain, P.; Srivastava, Sanjeev K.; Srivastava, Suneel K.
• Is Part Of: Solid state communications. Volume 260(2017)
• Page Start: 10
• Page End: 13
• Publication Date: 2017-07
• Subjects: NixPd1−x alloy -- Quantum phase transition -- Hybridization anomaly; Solid state chemistry -- Periodicals; Solid state physics -- Periodicals; Chimie de l'état solide -- Périodiques; Physique de l'état solide -- Périodiques; 530.41
• DOI: 10.1016/j.ssc.2017.05.008
• Languages: English
• ISSNs: 0038-1098

Abstract

Abstract: First-principles density functional theory computations of electronic structure and local magnetic properties of the non-fluctuating ground state of Ni x Pd 1 − x alloy system around its quantum critical point x c =0.026 have been performed. The density of states at the Fermi energy and certain other parameters characterizing the Ni 3 d − Pd 4 d hybridization apparently follow power-laws with x similar to that obeyed by the reported ferromagnetic to paramagnetic transition temperature. The width of Pd 4 d density of states (DOS) and centroid of Ni 3 d DOS show peak-like anomalies in the neighbourhood of x c, and so indicate a possible scenario of the existence of a definite relation between the orbital hybridization and the emergence of quantum fluctuations in the system. Highlights: Zero-K properties of Ni x Pd 1 − x alloys near quantum critical point are calculated. Ni 3 d - Pd 4 d orbital hybridization is semi-quantitatively derived from partial densities of states. The hybridization exhibits an anomaly near the quantum critical point. The study reveals a possible relation between hybridization and quantum fluctuations.