Matej Bobnar

Bio: Matej Bobnar is an academic researcher from Max Planck Society. The author has contributed to research in topics: Crystal structure & Magnetic susceptibility. The author has an hindex of 13, co-authored 73 publications receiving 520 citations. Previous affiliations of Matej Bobnar include Jožef Stefan Institute.

Large nonsaturating magnetoresistance and pressure-induced phase transition in the layered semimetal HfTe 2

Abstract: Unusual physical properties like large magnetoresistance (MR) and superconductivity occurring in semimetals with Dirac or Weyl points are often linked to their topologically nontrivial band structures. However, there is an increasing number of reports on semimetals that show large MR in the absence of Dirac or Weyl points. Herein we report an experimental and theoretical study on the layered transition-metal dichalcogenide (TMDC) $\mathrm{HfT}{\mathrm{e}}_{2}$ that shows a large MR of $1350%$ at $T=2$ K and ${\ensuremath{\mu}}_{0}H=9\phantom{\rule{0.16em}{0ex}}\mathrm{T}$ in the absence of Dirac or Weyl points. Moreover, the structure and electrical resistivity under pressure reveal a unique structural transition. These results clearly distinguish $\mathrm{HfT}{\mathrm{e}}_{2}$ from TMDCs like $\mathrm{MoT}{\mathrm{e}}_{2}$ or $\mathrm{WT}{\mathrm{e}}_{2}$ which both exhibit larger MR and are viewed as Weyl semimetals. $\mathrm{HfT}{\mathrm{e}}_{2}$ is an appealing platform for future investigations on the interplay of particular band-structure features and their connection to emerging physical properties.

Noncentrosymmetric superconductor BeAu

Abstract: Mixed spin-singlet and spin-triplet pairing can occur in noncentrosymmetric superconductors. In this respect, a comprehensive characterization of the noncentrosymmetric superconductor BeAu was carried out. It was established that BeAu undergoes a structural phase transition from a low-temperature noncentrosymmetric FeSi structure type to a high-temperature centrosymmetric structure in the CsCl type at ${T}_{\text{s}}=860$ K. The low-temperature modification exhibits a superconducting transition below ${T}_{\text{c}}=3.3$ K. The values of lower (${H}_{\text{c1}}=32$ Oe) and upper (${H}_{\text{c2}}=335$ Oe) critical fields are rather small, confirming that this type-II (${\ensuremath{\kappa}}_{\text{G-L}}=2.3$) weakly coupled (${\ensuremath{\lambda}}_{\text{e-p}}=0.5,\phantom{\rule{0.28em}{0ex}}\mathrm{\ensuremath{\Delta}}{C}_{\text{e}}/{\ensuremath{\gamma}}_{\text{n}}{T}_{\text{c}}\ensuremath{\approx}1.26$) superconductor can be well understood within the Bardeen-Cooper-Schrieffer theory. The muon spin relaxation analysis indicates that the time-reversal symmetry is preserved when the superconducting state is entered, supporting conventional superconductivity in BeAu. From the density functional band structure calculations, a considerable contribution of the Be electrons to the superconducting state was established. On average, a rather small mass renormalization was found, consistent with the experimental data.

75As nuclear magnetic resonance study of antiferromagnetic fluctuations in the normal state of LiFeAs

Abstract: We present a detailed study of $^{75}\text{A}\text{s}$ nuclear magnetic resonance Knight shift and spin-lattice relaxation rate in the normal state of stoichiometric polycrystalline LiFeAs. Our analysis of the Korringa relation suggests that LiFeAs exhibits strong antiferromagnetic fluctuations, if transferred hyperfine coupling is a dominant interaction between $^{75}\text{A}\text{s}$ nuclei and Fe electronic spins, whereas for an on-site hyperfine coupling scenario, these are weaker, but still present to account for our experimental observations. Density-functional calculations of electric field gradient correctly reproduce the experimental values for both $^{75}\text{A}\text{s}$ and $^{7}\text{L}\text{i}$ sites.

Tuning a sign of magnetoelectric coupling in paramagnetic NH2(CH3)2Al1-xCrx(SO4)*6H2O crystals by metal ion substitution

Abstract: Hybrid organometallic systems offer a wide range of functionalities, including magnetoelectric interactions. However, the ability to design on-demand ME coupling remains challenging despite a variety of host-guest configurations and ME phases coexistence possibilities. Here, we report the effect of metal-ion substitution on the magnetic and electric properties in the paramagnetic ferroelectric DMAAS crystals. Doing so we are able to induce and even tune a sign of the ME interactions in the paramagnetic ferroelectric state. Both studied samples with 6.5% and 20% of Cr become paramagnetic, contrary to the initial diamagnetic compound. Due to the isomorphous substitution with Cr the ferroelectric phase transition temperature increases nonlinearly, with the shift being larger for the sample with Cr content of 6.5%. A magnetic field applied along the polar c axis increases ferroelectricity for this sample and shifts Tc to higher values, while inverse effects are observed for sample containing 20% of Cr. The ME coupling coefficient of 1.7ns/m found for a crystal with 20% of Cr is among the highest reported up to now. The observed sign change of ME coupling coefficient with a small change in Cr content paves the way for ME coupling engineering.

Ba4[Mn3N6], a Quasi-One-Dimensional Mixed-Valent Nitridomanganate (II, IV)

Abstract: The mixed-valent nitridomanganate Ba4[Mn3N6] was prepared using a gas–solid high temperature route. The crystal structure was determined employing high resolution synchrotron powder diffraction data: space group Pbcn, a = 9.9930(1) A, b = 6.17126(8) A, c = 14.4692(2) A, V = 892.31(2) A3, Z = 4. The manganese atoms in the structure of Ba4[Mn3N6] are four-fold coordinated by nitrogen forming infinite corrugated chains of edge-sharing [MnN4] tetrahedra. The chains demonstrate a complete charge order of Mn species. Magnetization measurements and first principle calculations indicate quasi-one dimensional magnetic behavior. In addition, chemical bonding analysis revealed pronounced Mn–Mn interactions along the chains.

Fast parallel algorithms for short-range molecular dynamics

Abstract: Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Superconductivity in iron compounds

Abstract: Kamihara and coworkers' report of superconductivity at ${T}_{c}=26\text{ }\text{ }\mathrm{K}$ in fluorine-doped LaFeAsO inspired a worldwide effort to understand the nature of the superconductivity in this new class of compounds. These iron pnictide and chalcogenide (FePn/Ch) superconductors have Fe electrons at the Fermi surface, plus an unusual Fermiology that can change rapidly with doping, which lead to normal and superconducting state properties very different from those in standard electron-phonon coupled ``conventional'' superconductors. Clearly, superconductivity and magnetism or magnetic fluctuations are intimately related in the FePn/Ch, and even coexist in some. Open questions, including the superconducting nodal structure in a number of compounds, abound and are often dependent on improved sample quality for their solution. With ${T}_{c}$ values up to 56 K, the six distinct Fe-containing superconducting structures exhibit complex but often comparable behaviors. The search for correlations and explanations in this fascinating field of research would benefit from an organization of the large, seemingly disparate data set. This review provides an overview, using numerous references, with a focus on the materials and their superconductivity.

High-temperature superconductivity in iron-based materials

Abstract: The surprising discovery of high-temperature superconductivity in a material containing a strong magnet—iron—has led to thousands of publications. By placing all the data in context, it becomes clear what we know and where we are headed.

Gap symmetry and structure of Fe-based superconductors

Abstract: The recently discovered Fe-pnictide and chalcogenide superconductors display low-temperature properties suggesting superconducting gap structures which appear to vary substantially from family to family, and even within families as a function of doping or pressure. We propose that this apparent nonuniversality can actually be understood by considering the predictions of spin fluctuation theory and accounting for the peculiar electronic structure of these systems, coupled with the likely 'sign-changing s-wave' (s?) symmetry. We review theoretical aspects, materials properties and experimental evidence relevant to this suggestion, and discuss which further measurements would be useful to settle these issues.Satisfactoriness has to be measured by a multitude of standards, of which some, for aught we know, may fail in any given case; and what is more satisfactory than any alternative in sight, may to the end be a sum of pluses and minuses, concerning which we can only trust that by ulterior corrections and improvements a maximum of the one and a minimum of the other may some day be approached.??????????????????????William James, Meaning of Truth

Gap symmetry and structure of Fe-based superconductors

Abstract: The recently discovered Fe-pnictide and chalcogenide superconductors display low-temperature properties suggesting superconducting gap structures which appear to vary substantially from family to family, and even within families as a function of doping or pressure. We propose that this apparent nonuniversality can actually be understood by considering the predictions of spin fluctuation theory and accounting for the peculiar electronic structure of these systems, coupled with the likely 'sign-changing s-wave' (s\pm) symmetry. We review theoretical aspects, materials properties and experimental evidence relevant to this suggestion, and discuss which further measurements would be useful to settle these issues.