Nonthermal solid-solid phase transition in ferromagnetic iron

被引:2
|
作者
Azadi, S. [1 ]
Wark, J. S. [1 ]
Vinko, S. M. [1 ,2 ]
机构
[1] Univ Oxford, Dept Phys, Clarendon Lab, Parks Rd, Oxford OX1 3PU, England
[2] STFC Rutherford Appleton Lab, Cent Laser Facil, Didcot OX11 0QX, England
基金
英国工程与自然科学研究理事会;
关键词
GENERALIZED GRADIENT APPROXIMATION; ELECTRON; DYNAMICS; VANADIUM; BCC;
D O I
10.1103/PhysRevB.110.214434
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We posit the existence of a nonthermal phase transition in iron, driven by a loss of ferromagnetic ordering on ultrafast timescales with increasing electron temperature. The transition corresponds to a solid-solid bcc to fcc phase transformation and takes place at an electron temperature of 0.62 eV while the ion lattice remains near room temperature. The bcc structure initially undergoes phonon softening during the magnetic transformation, followed by a solid-solid phase transition to the fcc structure, and a subsequent hardening of phonon modes. We present a detailed physical picture of the process, supported by finite-temperature density functional theory simulations of the phonon dispersion curves, electronic density of states, and thermodynamic free energy.
引用
收藏
页数:7
相关论文
共 50 条
  • [41] Monitoring high-temperature solid-solid phase transition of HMX with atom microscom
    Weeks, BL
    Ruddle, CM
    Zaug, JM
    Cook, DJ
    ULTRAMICROSCOPY, 2002, 93 (01) : 19 - 23
  • [42] Laser-induced solid-solid phase transition in As under pressure: a theoretical prediction
    Zijlstra, Eeuwe S.
    Huntemann, Nils
    Garcia, Martin E.
    NEW JOURNAL OF PHYSICS, 2008, 10
  • [43] Recent advances in spatiotemporal evolution of thermomechanical fields during the solid-solid phase transition
    Sun, Q. P.
    Zhao, H.
    Zhou, R.
    Saletti, D.
    Yin, H.
    COMPTES RENDUS MECANIQUE, 2012, 340 (4-5): : 349 - 358
  • [44] The solid-solid phase transition of lithium sulfate for use in self-calibrating thermocouples
    Tischler, M
    TEMPMEKO 2001: 8TH INTERNATIONAL SYMPOSIUM ON TEMPERATURE AND THERMAL MEASUREMENT IN INDUSTRY AND SCIENCE, VOL 1 & 2, PROCEEDINGS, 2002, : 477 - 482
  • [45] Solid-solid phase transition modelling: relaxation procedures, configurational energies and thermomechanical behaviours
    Pagano, S
    Alart, P
    INTERNATIONAL JOURNAL OF ENGINEERING SCIENCE, 1999, 37 (14) : 1821 - 1840
  • [46] Monitoring the α → β solid-solid phase transition of RDX with Raman spectroscopy: A theoretical and experimental study
    Infante-Castillo, Ricardo
    Pacheco-Londono, Leonardo C.
    Hernandez-Rivera, Samuel P.
    JOURNAL OF MOLECULAR STRUCTURE, 2010, 970 (1-3) : 51 - 58
  • [47] Solid-solid phase transition of tungsten induced by high pressure: A molecular dynamics simulation
    Deng, Xiao-zhen
    Lang, Lin
    Mo, Yun-fei
    Dong, Ke-jun
    Tian, Ze-an
    Hu, Wang-yu
    TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA, 2020, 30 (11) : 2980 - 2993
  • [48] Role of the Surface in Solid-Solid Phase Transitions: Molecular Dynamics Study of the α-γ Transition in Fe
    Wang, Binjun
    Urbassek, Herbert M.
    METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, 2016, 47A (05): : 2471 - 2480
  • [49] Molecular simulation of solid-solid phase transitions
    Bordat, P.
    Marbeuf, A.
    Brown, R.
    MOLECULAR SIMULATION, 2006, 32 (12-13) : 971 - 984
  • [50] HYSTERESIS IN SOLID-SOLID PHASE-TRANSFORMATIONS
    GUHA, A
    INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, 1984, 23 (03): : 229 - 230