Showing 2015 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2015★ 30 cited

The influence of non-idealities on the thermoelectric power factor of nanostructured superlattices

Mischa Thesberg, Mahdi Pourfath, Hans Kosina +1

Cross-plane superlattices composed of nanoscale layers of alternating potential wells and barriers have attracted great attention for their potential to provide thermoelectric powe…

cond-mat.mtrl-sci2015★ 23 cited

Areal density optimizations for heat-assisted-magnetic recording of high density bit-patterned media

Christoph Vogler, Claas Abert, Florian Bruckner +2

Heat-assisted-magnetic recording (HAMR) is hoped to be the future recording technique for high density storage devices. Nevertheless, there exist several realizations strategies. W…

cond-mat.mtrl-sci2015★ 43 cited

Electric-Field Noise above a Thin Dielectric Layer on Metal Electrodes

Muir Kumph, Carsten Henkel, Peter Rabl +2

The electric-field noise above a layered structure composed of a planar metal electrode covered by a thin dielectric is evaluated and it is found that the dielectric film considera…

cond-mat.mtrl-sci2015★ 120 cited

All-optical dc nanotesla magnetometry using silicon vacancy fine structure in isotopically purified silicon carbide

D. Simin, V. A. Soltamov, A. V. Poshakinskiy +10

We uncover the fine structure of a silicon vacancy in isotopically purified silicon carbide (4H-SiC) and find extra terms in the spin Hamiltonian, originated from the trigon…

cond-mat.mtrl-sci2015★ 64 cited

Heat assisted magnetic recording of bit patterned media beyond 10 Tb/in

Christoph Vogler, Claas Abert, Florian Bruckner +2

The limits of the areal storage density as can be achieved with heat assisted magnetic recording (HAMR) are still an open issue. We want to address this central question and presen…

cond-mat.mtrl-sci2015★ 136 cited

Highly Anistoropic Thermal Conductivity of Arsenene: An ab initio Study

M. Zeraati, S. M. Vaez Allaei, I. Abdolhosseini Sarsari +2

Elemental 2D materials exhibit intriguing heat transport and phononic properties. Here we have investigated the lattice thermal conductivity of newly proposed arsenene, the 2D hone…

cond-mat.mtrl-sci2015★ 1 cited

Structural and mechanical properties of nitrogen-deficient cubic Cr-Mo-N and Cr-W-N systems

Liangcai Zhou, Fedor Klimashin, David Holec +1

The tendency for nitrogen deficiency in cubic Cr-Mo-N and Cr-W-N solid solutions is predicted by a comprehensive evaluation of the lattice spacing, mixing thermodynamics, and elast…

cond-mat.mtrl-sci2015★ 19 cited

Ab-initio perspective on the Mollwo-Ivey relation for F-centers in alkali halides

P. Tiwald, F. Karsai, R. Laskowski +4

We revisit the well-known Mollwo-Ivey relation that describes the "universal" dependence of the absorption energies of F-type color centers on the lattice constant of the alkal…

cond-mat.mtrl-sci2015★ 18 cited

Correlated electron behavior of metalorganic molecules: insights from density functional theory combined with many-body effects using exact diagonalization

Sumanta Bhandary, Malte Schüler, Patrik Thunström +5

A proper theoretical description of electronic structure of the 3d orbitals in the metal centers of functional metalorganics is a challenging problem. In this letter, we apply dens…

cond-mat.mtrl-sci2015★ 20 cited

Physics-based Simulation Models for EBSD: Advances and Challenges

Aimo Winkelmann, Gert Nolze, Maarten Vos +2

EBSD has evolved into an effective tool for microstructure investigations in the scanning electron microscope. The purpose of this contribution is to give an overview of various si…

cond-mat.mtrl-sci2015★ 13 cited

Ab-initio calculation of the real contact area on the atomic scale

Michael Wolloch, Gregor Feldbauer, Peter Mohn +2

We present a novel approach to determine the onset of contact between a tip and a surface. The real contact area depending on the distance is calculated using Bader's quantum theor…

cond-mat.mtrl-sci2015★ 46 cited

Unified picture for the colossal thermopower compound FeSb

M. Battiato, J. M. Tomczak, Z. Zhong +1

We identify the driving mechanism of the gigantic Seebeck coefficient in FeSb as the phonon-drag effect associated with an in-gap density of states that we demonstrate to deriv…

cond-mat.mtrl-sci2015★ 23 cited

Giant directional birefringence in multiferroic ferroborate

A. M. Kuzmenko, V. Dziom, A. Shuvaev +6

Many technological applications are based on electric or magnetic order of materials, for instance magnetic memory. Multiferroics are materials which exhibit electric and magnetic…

cond-mat.mtrl-sci2015★ 40 cited

Adhesion and material transfer between contacting Al and TiN surfaces from first principles

Gregor Feldbauer, Michael Wolloch, Pedro O. Bedolla +3

A series of density functional theory (DFT) simulations was performed to investigate the approach, contact, and subsequent separation of two atomically flat surfaces consisting of…

cond-mat.mtrl-sci2015★ 140 cited

Large Seebeck Effect by Charge-Mobility Engineering

Peijie Sun, Beipei Wei, Jiahao Zhang +5

The Seebeck effect describes the generation of an electric potential in a conducting solid exposed to a temperature gradient. Besides fundamental relevance in solid state physics,…

cond-mat.mtrl-sci2015★ 35 cited

Giant switchable Rashba effect in oxide heterostructures

Zhicheng Zhong, Liang Si, Qinfang Zhang +3

One of the most fundamental phenomena and a reminder of the electron's relativistic nature is the Rashba spin splitting for broken inversion symmetry. Usually this splitting is a t…

cond-mat.mtrl-sci2015★ 33 cited

The electronic and magnetic structure of p-element (C,N) doped rutile-TiO; A hybrid DFT study

Jacqueline Atanelov, Christoph Gruber, Peter Mohn

We study the electronic and magnetic structure of carbon and nitrogen impurities and interstitials in rutile TiO. To this end we perform \textit{ab-initio} calculations of a…