相关论文: Pressure induced bcc to hcp transition in Fe: Magn…
Experimental data show that under pressure, Gd goes through a series of structural transitions hcp to Sm-type (close-packed rhombohedral) to dhcp that is accompanied by a gradual decrease of the Curie temperature and magnetization till the…
Solid-solid phase transitions in metals are traditionally driven by changes in density or external pressure. Here we show that, under strong electronic excitation, structural stability is governed by the interplay between electronic effects…
The Burgers distortion is a two-stage transition between body centered cubic (BCC) and hexagonal close-packed (HCP) structures. Refractory metal elements from the Sc and Ti columns of the periodic table (BCC/HCP elements) form BCC…
We here study electronic structure and magnetic properties of bcc Co$_{x}$Fe$_{1-x}$, Cr$_{x}$Fe$_{1-x}$ and Mn$_{x}$Fe$_{1-x}$ in their ferromagnetic phases using Augmented Space Recursion technique coupled with tight-binding linearized…
We discover that hcp phases of Fe and Fe0.9Ni0.1 undergo an electronic topological transition at pressures of about 40 GPa. This topological change of the Fermi surface manifests itself through anomalous behavior of the Debye sound…
Recent experimental results on two hcp phases of barium under high pressure show interesting variation of the lattice parameters. They are here interpreted in terms of electronic structure calculation by using the LMTO method and…
Under the hydrostatic pressure $P=1.48$ GPa, polarized neutron elastic scattering experiments have been carried out on the coupled spin dimer system TlCuCl$_3$ with the gapped ground state at ambient pressure. Pressure-induced magnetic…
A review is given of pressure induced valence transitions in f-electron systems calculated with the self-interaction corrected local spin density (SIC-LSD) approximation. These calculations show that the SIC-LSD is able to describe valence…
Exotic quantum phenomena often emerge near an electronic delocalization transition (EDT) from an antiferromagnetic insulating phase to a strongly correlated metallic state under pressure. We report the pressure-induced structural and…
Iron hydride with a double hexagonal close-packed structure (dhcp-FeH$_{x}$) undergoes a ferromagnetic-paramagnetic transition without changing its crystal structure. Despite its relevance to metal-hydrogen interactions and magnetically…
We present a coarse molecular-dynamics (CMD) approach for the study of stress-induced structural transformations in crystals at finite temperatures. The method relies on proper choice of a coarse variable (order parameter, observable),…
We show that the flux line lattice in a model layered HTSC becomes unstable above a critical magnetic field with respect to a plastic deformation via penetration of pairs of point-like disclination defects. The instability is characterized…
Structural stability of paramagnetic (PM) body-centered cubic (bcc) Fe under pressure is investigated based on first-principles phonon calculations. Spin configurations of the PM phase are approximated using a binary special quasi-random…
The stability of the excitonic condensation at low temperature driven by a coupling of electrons to vibrational degrees of freedom in semimetal two-dimensional electronic system is discussed. In the framework of the unrestricted…
Frustrated lattices1-3, characterized by minor breakdown in local order in an otherwise periodic lattice, lead to simultaneous possibilities of several ground states which can trigger unique physical properties, in condensed matter systems.…
Pressure-induced ordering close to a $z=1$ quantum critical point is studied in the presence of bond disorder in the quantum spin system (C$_4$H$_{12}$N$_2$)Cu$_2$(Cl$_{1-x}$Br$_{x}$)$_6$ (PHCX) by means of muon-spin rotation and…
The Fe-Mn-based alloys are receiving immense attention due to their applications in the third generation of advanced high-strength steels, owing to their high strength and ductility. A detailed in situ high-pressure structural phase…
Within the generalized DMFT+$\Sigma$ approach we study disorder effects in the temperature dependence of paramagnetic critical magnetic field $H_{cp}(T)$ for Hubbard model with attractive interaction. We consider the wide range of…
It is a long-time pursuit of computations with \emph{ab initio} precision of thermal contributions to phase behaviors of condensed matters under extreme conditions. In this work, the pressure induced structural phase transitions of…
Energetics of the fcc ($\gamma$) - bcc ($\alpha$) lattice transformation by the Bain tetragonal deformation is calculated for both magnetically ordered and paramagnetic (disordered local moment) states of iron. The first-principle…