Seebeck effect in nanomagnets

in Journal of Physics: Condensed Matter (2021), 34

Ultrafast scanning calorimetry of newly developed Au-Ga bulk metallic glasses

in Journal of Physics: Condensed Matter (2020), 32(32), 324001

The isothermal crystallization times and critical cooling rates of the liquid phase are determined for the two bulk metallic glass forming alloys Au49Ag5.5Pd2.3Cu26.9Si16.3 and Au51.6Ag5.8Pd2.4Cu20.2Ga6 ... [more ▼]

The isothermal crystallization times and critical cooling rates of the liquid phase are determined for the two bulk metallic glass forming alloys Au49Ag5.5Pd2.3Cu26.9Si16.3 and Au51.6Ag5.8Pd2.4Cu20.2Ga6.7Si13.3 by using fast differential scanning calorimetry, covering the whole timescale of the crystallization event of the metallic melt. In the case of Au49Ag5.5Pd2.3Cu26.9Si16.3, a typical crystallization nose was observed, whereas for the Au51.6Ag5.8Pd2.4Cu20.2Ga6.7Si13.3, a more complex crystallization behavior with two distinct crystallization noses was found. Even for the complex crystallization behavior of the Au51.6Ag5.8Pd2.4Cu20.2Ga6.7Si13.3 alloy it is shown that the minimal isothermal nose time does allow for a quantification of the macroscopic critical thickness. It is discussed in contrast to the critical cooling rate, which is found to allow less exact calculations of the critical thickness and thus does not correlate well with the critical cooling rate from macroscopic experiments. Additionally the crystallization data of Au49Ag5.5Pd2.3Cu26.9Si16.3 was modeled using classical nucleation theory with the Johnson–Mehl–Avrami–Kolmogorov (JMAK) equation, enabling a determination of the interfacial energy. [less ▲]

Defect-induced Dzyaloshinskii–Moriya interaction in a nanocrystalline two-phase alloy

in Journal of Physics: Condensed Matter (2020), 32

Absence of strong skew scattering in crystals with multi-sheeted Fermi surfaces

in Journal of Physics: Condensed Matter (2019), 31

We consider an extrinsic contribution to the anomalous and spin Hall effect in dilute alloys based on Fe, Co, Ni, and Pt hosts with different substitutional impurities. It is shown that a strong skew ... [more ▼]

We consider an extrinsic contribution to the anomalous and spin Hall effect in dilute alloys based on Fe, Co, Ni, and Pt hosts with different substitutional impurities. It is shown that a strong skew-scattering mechanism is absent in such crystals with multi-sheeted Fermi surfaces. Based on this finding, we conclude on the mutual exclusion of strong intrinsic and skew-scattering contributions to the considered transport phenomena. It also allows us to draw general conclusions in which materials with a giant anomalous Hall effect caused by the skew scattering can be achieved. [less ▲]

Topological phase diagram of the disordered 2XY model in presence of generalized Dzyaloshinskii-Moriya interaction

in Journal of Physics: Condensed Matter (2019), 32(1), 015604

The topological index of a system determines its edge physics. However, in situations such as strong disorder where due to level repulsion the spectral gap closes, the topological indices are not well ... [more ▼]

The topological index of a system determines its edge physics. However, in situations such as strong disorder where due to level repulsion the spectral gap closes, the topological indices are not well-defined. In this paper, we show that the localization length of zero modes determined by the transfer matrix method reveals much more information than the topological index. The localization length can provide not only information about the topological index of the Hamiltonian itself, but it can also provide information about the topological indices of the ‘relative’ Hamiltonians. As a case study, we study a generalized XY model (2XY model) further augmented by a generalized Dziyaloshinskii–Moriya-like (DM) interaction parameterized by that after fermionization breaks the time-reversal invariance. The parent Hamiltonian at which belongs to the BDI class is indexed by an integer winding number while the daughter Hamiltonian which belongs to class D is specified by a Z 2 index . We show that the localization length, in addition to determining Z 2, can count the number of Majorana zero modes leftover at the boundary of the daughter Hamiltonian—which are not protected by the winding number anymore. Therefore the localization length outperforms the standard topological indices in two respects: (i) it is much faster and more accurate to calculate and (ii) it can count the winding number of the parent Hamiltonian by looking into the edges of the daughter Hamiltonian. [less ▲]

Role of tetrahedrally coordinated dopants in palladium hydrides on their superconductivity and inverse isotope effect

in Journal of Physics: Condensed Matter (2019), 31

Many-body van der Waals interactions in molecules and condensed matter

in Journal of Physics: Condensed Matter (2014), 26(21),

This work reviews the increasing evidence that many-body van der Waals (vdW) or dispersion interactions play a crucial role in the structure, stability and function of a wide variety of systems in biology ... [more ▼]

This work reviews the increasing evidence that many-body van der Waals (vdW) or dispersion interactions play a crucial role in the structure, stability and function of a wide variety of systems in biology, chemistry and physics. Starting with the exact expression for the electron correlation energy provided by the adiabatic connection fluctuation-dissipation theorem, we derive both pairwise and many-body interatomic methods for computing the long-range dispersion energy by considering a model system of coupled quantum harmonic oscillators within the random-phase approximation. By coupling this approach to density functional theory, the resulting many-body dispersion (MBD) method provides an accurate and efficient scheme for computing the frequency-dependent polarizability and many-body vdW energy in molecules and materials with a finite electronic gap. A select collection of applications are presented that ascertain the fundamental importance of these non-bonded interactions across the spectrum of intermolecular (the S22 and S66 benchmark databases), intramolecular (conformational energies of alanine tetrapeptide) and supramolecular (binding energy of the 'buckyball catcher') complexes, as well as molecular crystals (cohesive energies in oligoacenes). These applications demonstrate that electrodynamic response screening and beyond-pairwise many-body vdW interactions - both captured at the MBD level of theory - play a quantitative, and sometimes even qualitative, role in describing the properties considered herein. This work is then concluded with an in-depth discussion of the challenges that remain in the future development of reliable (accurate and efficient) methods for treating many-body vdW interactions in complex materials and provides a roadmap for navigating many of the research avenues that are yet to be explored. © 2014 IOP Publishing Ltd. [less ▲]