相关论文: Cubic to hexagonal iron phase transition promoted …
We investigate the physics of an adiabatic transition from a BCS superconductor to a Fermi liquid for an exponentially slow decreasing pairing interaction. In particular, we show that the metal keeps memory of the parent BCS state so it is…
The behavior of hydrogen in iron and iron alloys is of interest in many fields of physics and materials science. To enable large-scale molecular dynamics simulations of systems with Fe-H interactions, we develop, based on density-functional…
The interface between a heavy electron coherent metallic phase and an incoherent normal metal phase is discussed. The Fermi momentum mismatch between the two phases causes the carriers to scatter at the interface. The interface conductance…
Motivated by the properties of the iron chalcogenides, we study the phase diagram of a generalized Heisenberg model with frustrated bilinear-biquadratic interactions on a square lattice. We identify zero-temperature phases with…
The effects of mass imbalance in a three-component Hubbard model are studied by the dynamical mean-field theory combined with exact diagonalization. The model describes a fermion-fermion mixture of two different particle species with a mass…
Hydrogen threatens the structural integrity of metals and thus predicting hydrogen-material interactions is key to unlocking the role of hydrogen in the energy transition. Quantifying the interplay between material deformation and hydrogen…
We investigate the temperature and pressure dependences of the electrical resistivity for bcc and hcp Fe using the low-order variational approximation and theoretical transport spectral functions calculated from first principles linear…
The kinetics of HCP-BCC structure phase transition is studied by precise pressure measurement technique in 4He crystals of different quality. An anomalous pressure behavior in bad quality crystals under constant volume conditions is…
The influence of hydrostatic pressure and ab-plane strain on the magnetic structure of FeTe is investigated from first principles. The results of calculations reveal a phase transition from antiferromagnetic double-stripe ordering at…
The occurrence of bcc-fcc ($\alpha$-$\gamma$) and fcc-bcc ($\gamma$-$\delta$) phase transitions in magnetic iron stems from the interplay between magnetic excitations and lattice vibrations. However, this fact has never been proven by a…
We have measured the local electronic compressibility of a two-dimensional hole gas as it crosses the B=0 Metal-Insulator Transition. In the metallic phase, the compressibility follows the mean-field Hartree-Fock (HF) theory and is found to…
We study experimentally the intermittent progress of the mechanically induced martensitic transformation in a Cu-Al-Be single crystal through a full-field measurement technique: the grid method. We utilize an in- house, specially designed…
As titanium is a highly utilized metal for structural light-weighting, its phases, transformation pathways (transition states), and structures have scientific and industrial importance. Impurities, pressure, and temperature control the…
We provide semi-rigorous arguments that the Homogeneous Electron Fluid (HEF) has a colloidal phase separating the Wigner Crystal from the high density fluid phase. Near the crossover between crystal and fluid ground state energies, the…
We present calculations of free energy barriers and diffusivities as functions of temperature for the diffusion of hydrogen in bcc-Fe. This is a fully quantum mechanical approach since the total energy landscape is computed using a new self…
Hydrogen embrittlement of metals is widely observed, but its atomistic origins remain little understood and much debated. Combining a unique identification of interstitial sites through polyhedral tessellation and first-principles…
Interfaces such as grain boundaries in polycrystalline as well as heterointerfaces in multiphase solids are ubiquitous in materials science and engineering. Far from being featureless dividing surfaces between neighboring crystals,…
Metal-insulator transitions in the paramagnetic phase of the two dimensional square lattice Hubbard model are studied using the dynamical cluster approximation with eight momentum cells. We show that both the interaction-driven and the…
The quantum phase transition in iron-based superconductors with 'half-Dirac' node at the electron Fermi surface as a $T=0$ structural phase transition described in terms of nematic order is discussed. An effective low energy theory that…
Dynamics of ionic-to-neutral and neutral-to-ionic phase transitions induced by intrachain charge-transfer photoexcitations are studied in a quasi-one-dimensional extended Hubbard model with alternating potentials and an electron-lattice…