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J Phys Condens Matter ; 34(3)2021 Nov 02.
Artigo em Inglês | MEDLINE | ID: mdl-34592722


In the present work, we demonstrate that C-doped Zr5Pt3is an electron-phonon superconductor (with critical temperatureTC= 3.8 K) with a nonsymmorphic topological Dirac nodal-line semimetal state, which we report here for the first time. The superconducting properties of Zr5Pt3C0.5have been investigated by means of magnetization, resistivity, specific heat, and muon spin rotation and relaxation (µSR) measurements. We find that at low temperatures, the depolarization rate is almost constant and it can be well described by a single-bands-wave model with a superconducting gap of 2Δ(0)/kBTC= 3.84, somewhat higher than the value of BCS theory. From the transverse field µSR analysis, we estimate the London penetration depthλL= 469 nm, superconducting carrier densityns= 1.83 × 1026 m-3, and effective massm* = 1.428me. The zero field µSR confirms the absence of any spontaneous magnetic field in the superconducting ground state. In order to gain additional insights into the electronic ground state of C-doped Zr5Pt3, we also performed first-principles calculations within the framework of density functional theory (DFT). The observed homogenous electronic character of the Fermi surface as well as the mutual decrease ofTCand density of states at the Fermi level are consistent with the experimental findings of this study. However, the band structure reveals the presence of robust, gapless fourfold-degenerate nodal lines protected by 63screw rotations and glide mirror planes. Therefore, Zr5Pt3represents a novel, unprecedented condensed matter system to investigate the intricate interplay between superconductivity and topology.

J Phys Condens Matter ; 28(32): 326001, 2016 08 17.
Artigo em Inglês | MEDLINE | ID: mdl-27346457


Magnetic properties of Mn linear nanochains on a bcc Fe(1 1 0) surface have been studied using the first-principles real space-linear muffin-tin orbital atomic sphere approximation (RS-LMTO-ASA) method. We have considered up to nine Mn atoms deposited on bcc Fe(1 1 0). Our ab initio calculations reveal the competition between the antiferromagnetic Mn-Mn and Mn-Fe couplings, presenting a behavior which is very different from Mn nanowires on Fe(0 0 1), as shown in a previous publication. Due to this competition and non-negligible Dzyaloshinskii-Moriya interaction, noncollinear magnetic structures are stabilized as ground states for the Mn nanochains on Fe(1 1 0).

J Phys Condens Matter ; 26(20): 206003, 2014 May 21.
Artigo em Inglês | MEDLINE | ID: mdl-24786650


The magnetic properties of FexCo1-x nanochains on Pt(1 1 1) were studied using the first-principles real-space linear muffin-tin orbital-atomic sphere approximation (RS-LMTO-ASA) method within the density functional theory. The relative amounts of Fe and Co atoms in a chosen nanochain were varied and several possible arrangements of the atomic species were taken into account. The results of the exchange interaction demonstrates ferromagnetic coupling for the nanowires. Our calculations of Fe and Co average magnetic moments reveal a large enhancement of both spin and orbital moments compared to Fe-Co films deposited on a Pt(1 1 1) surface. The trend for the orbital moments with respect to stoichiometry differs from all previous higher-dimensional Fe-Co alloys on Pt(1 1 1) studies.

Cobalto/química , Compostos de Ferro/química , Campos Magnéticos , Nanopartículas Metálicas/química , Nanopartículas Metálicas/ultraestrutura , Modelos Químicos , Platina/química , Simulação por Computador , Impedância Elétrica , Imãs , Conformação Molecular , Propriedades de Superfície