Related papers: Electronic Instabilities in Shape-Memory Alloys
The simultaneous influence of electronic correlations and magnetic ordering on the theoretical estimation of phonons and related properties of Ni is investigated. The work includes a comparative DFT and DFT+U study, where on-site Coulomb…
Phonons, quantized vibrations of the atomic lattice, are fundamental to understanding thermal transport, structural stability, and phase behavior in crystalline solids. Despite advances in computational materials science, most predictions…
tructural transformation, pressure dependent elasticity behaviors, phonon, and thermodynamic properties of the equiatomic TiZr alloy are investigated by using first-principles density-functional theory. Our calculated lattice parameters and…
We have synthesized a nominal composition of Ni50Mn30Sn20 alloy using arc melting technique. Rietveld refinement confirms the austenite L21 structure in Fm-3m space group. Electrical resistivity has been found to clearly exhibiting two…
The first order martensitic transition in the ferromagnetic shape memory alloy Ni45Co5Mn38Sn12 is also a magnetic transition and has a large field induced effect. While cooling in the presence of field this first order magnetic martensite…
Antiferromagnets with broken time-reversal symmetry, such as Mn3Sn, have emerged as promising platforms for exploring topological and correlated electron physics. Mn3Sn is known to show two magnetic phase transitions: a non-collinear…
We report the observation of a quantum anomalous Hall effect in twisted bilayer graphene showing Hall resistance quantized to within .1\% of the von Klitzing constant $h/e^2$ at zero magnetic field.The effect is driven by intrinsic strong…
Materials with an ultra-low temperature coefficient of resistivity are desired for the temperature and flow sensors in high-precision electronic measuring systems. In this work, the Kubo-Greenwood formula, implemented in ab initio molecular…
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…
For a detailed study on the semiconductor to metal transition (SMT) in ZnO thin films doped with Al in the concentration range from 0.02 to 2%, we grew these films on (0001) sapphire substrates using sequential pulsed laser deposition. It…
The low-temperature charge-density-wave (CDW) state in the layered organic metals $\alpha $-(BEDT-TTF)$_2$MHg(SCN)$_4$ has been studied by means of the Shubnikov -- de Haas and de Haas -- van Alphen effects. In addition to the dominant…
This thesis is a theoretical study of thermodynamic, point-defect formation and diffusion properties in Fe-Ni alloys with a focus on the magnetochemical effects. The results are derived from density functional theory (DFT) calculations and…
We report a comprehensive study of the temperature-dependent structural, magnetic, vibrational, and dielectric properties of Al-substituted M-type hexaferrites SrFe$_{12-x}$Al$_x$O$_{19}$. Neutron powder diffraction and M\"ossbauer…
We study the effect of inelastic processes on the magneto-transport of a quasi-one dimensional Weyl semi-metal, using a modified Boltzmann-Langevin approach. The magnetic field drives a crossover to a ballistic regime in which the…
Differential Scanning Calorimetric, DSC, runs taken during martensitic phase transformations in shape memory alloys, often look differently during cooling and heating. Similar asymmetry is observed e.g. for the numbers of hits or the…
We propose a ferromagnetic Heusler alloy that can switch between a metal and a half-metal. Thiseffect can provide tunable spintronics properties. Using the density functional theory (DFT) withreliable implementations of the electron…
We present ultra-high-resolution dilatometric studies in magnetic fields on a quasi-two-dimensional organic conductor $\kappa$-(D8-BEDT-TTF)$_{2}$Cu[N(CN)$_{2}$]Br, which is located close to the Mott metal-insulator (MI) transition. The…
The band structures of ordered and thermally disordered Li$_2$Mo$_{12}$O$_{34}$ are calculated by use of ab-initio DFT-LMTO method. The unusual, very 1-dimensional band dispersion obtained in previous band calculations is confirmed for the…
In the warm dense regime, where the electron temperature is increased to the same order of the Fermi temperature, the dynamical stability of elemental metals depends on its electronic band structure as well as its crystal structure. It has…
Measurements of the sound velocities in a single crystal of MnSi were performed in the temperature range 4-150 K. Elastic constants, controlling propagation of longitudinal waves reveal significant softening at a temperature of about 29.6 K…