arXiv subjects

Tillmann Kubis

Publications and source records attributed to Tillmann Kubis.

25 records · Page 2Linked to original sources

arXiv2014

Proximity induced ferromagnetism, superconductivity, and finite-size effects on the surface and edge states of topological insulator nanostructures

Bi$_{2}$Te$_{3}$ and Bi$_{2}$Se$_{3}$ are well known 3D-topological insulators. Films made of these materials exhibit metal-like surface states with a Dirac dispersion and possess high mobility. The high mobility metal-like surface states can serve as channel material for TI-based field effect transistors. While such a transistor offers superior terminal characteristics, they suffer from an inherent zero band gap problem. The absence of a band gap for the surface states prevents an easy turn-off mechanism. In this work, techniques that can be employed to easily open a band gap for the TI surface states is introduced. Two approaches are described: 1) Coating the surface states with a ferromagnet which has a controllable magnetization axis. The magnetization strength of the ferromagnet is incorporated as an exchange interaction term in the Hamiltonian. 2) An \textit{s}-wave superconductor, because of the proximity effect, when coupled to a 3D-TI opens a band gap on the surface. This TI-superconductor heterostructure is modeled using the Bogoliubov-de Gennes Hamiltonian. A comparison demonstrating the finite size effects on surface states of a 3D-TI and edge states of a CdTe/HgTe/CdTe-based 2D-TI is also presented. 3D-TI nanostructures can be reduced to dimensions as low as 10.0 $ \mathrm{nm} $ in contrast to 2D-TI structures which require a thickness of at least 100.0 $ \mathrm{nm} $. All calculations are performed using the continuum four-band k.p Hamiltonian.

cond-mat.mes-hall↗

arXiv2013

An Environment-dependent Semi-Empirical Tight Binding Model Suitable for Electron Transport in Bulk Metals, Metal Alloys, Metallic Interfaces and Metallic Nanostructures I - Model and Validation

Semi-Empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor devices that might contain millions of atoms. In this paper an environment-aware and transferable TB model suitable for electronic structure and transport simulations in technologically relevant metals, metallic alloys, metal nanostructures and metallic interface systems is described. Part I of this paper describes the development and validation of the new TB model. The new model incorporates intra-atomic diagonal and off-diagonal elements for implicit self-consistency and greater transferability across bonding environments. The dependence of the on-site energies on strain has been obtained by appealing to the Moments Theorem that links closed electron paths in the system to energy moments of angular momentum resolved local density of states obtained ab-initio. The model matches self-consistent DFT electronic structure results for bulk FCC metals with and without strain, metallic alloys, metallic interfaces and metallic nanostructures with high accuracy and can be used in predictive electronic structure and transport problems in metallic systems at realistically extended length scales

cond-mat.mtrl-sci↗

arXiv2013

An Environment-dependent Semi-Empirical Tight Binding Model Suitable for Electron Transport in Bulk Metals, Metal Alloys, Metallic Interfaces and Metallic Nanostructures II - Effect of Confinement and Homogeneous Strain on Cu Conductance

The Semi-Empirical TB model developed in part I is applied to metal transport problems of current relevance in part II. A systematic study of the effect of quantum confinement, transport orientation and homogeneous strain on electronic transport properties of Cu is carried out. It is found that quantum confinement from bulk to nanowire boundary conditions leads to significant anisotropy in conductance of Cu along different transport orientations. Compressive homogeneous strain is found to reduce resistivity by increasing the density of conducting modes in Cu. The [110] transport orientation in Cu nanowires is found to be the most favorable for mitigating conductivity degradation since it shows least reduction in conductance with confinement and responds most favorably to compressive strain.

cond-mat.mtrl-sci↗

arXiv2013

Low Rank Approximation Method for Efficient Green's Function Calculation of Dissipative Quantum Transport

In this work, the low rank approximation concept is extended to the non-equilibrium Green's function (NEGF) method to achieve a very efficient approximated algorithm for coherent and incoherent electron transport. This new method is applied to inelastic transport in various semiconductor nanodevices. Detailed benchmarks with exact NEGF solutions show 1) a very good agreement between approximated and exact NEGF results, 2) a significant reduction of the required memory, and 3) a large reduction of the computational time (a factor of speed up as high as 150 times is observed). A non-recursive solution of the inelastic NEGF transport equations of a 1000 nm long resistor on standard hardware illustrates nicely the capability of this new method.

cond-mat.mes-hall↗

arXiv2013

Engineering Nanowire n-MOSFETs at Lg < 8 nm

As metal-oxide-semiconductor field-effect transistors (MOSFET) channel lengths (Lg) are scaled to lengths shorter than Lg<8 nm source-drain tunneling starts to become a major performance limiting factor. In this scenario a heavier transport mass can be used to limit source-drain (S-D) tunneling. Taking InAs and Si as examples, it is shown that different heavier transport masses can be engineered using strain and crystal orientation engineering. Full-band extended device atomistic quantum transport simulations are performed for nanowire MOSFETs at Lg<8 nm in both ballistic and incoherent scattering regimes. In conclusion, a heavier transport mass can indeed be advantageous in improving ON state currents in ultra scaled nanowire MOSFETs.

cond-mat.mes-hall↗

arXiv2013

Design principles for HgTe based topological insulator devices

The topological insulator properties of CdTe/HgTe/CdTe quantum wells are theoretically studied. The CdTe/HgTe/CdTe quantum well behaves as a topological insulator beyond a critical well width dimension. It is shown that if the barrier(CdTe) and well-region(HgTe) are altered by replacing them with the alloy Cd$_{x}% $Hg$_{1-x}$Te of various stoichiometries, the critical width can be changed.The critical quantum well width is shown to depend on temperature, applied stress, growth directions and external electric fields. Based on these results, a novel device concept is proposed that allows to switch between a normal semiconducting and topological insulator state through application of moderate external electric fields.

cond-mat.mes-hall↗

arXiv2012

Empirical tight binding parameters for GaAs and MgO with explicit basis through DFT mapping

The Empirical Tight Binding(ETB) method is widely used in atomistic device simulations. The reliability of such simulations depends very strongly on the choice of basis sets and the ETB parameters. The traditional way of obtaining the ETB parameters is by fitting to experiment data, or critical theoretical bandedges and symmetries rather than a foundational mapping. A further shortcoming of traditional ETB is the lack of an explicit basis. In this work, a DFT mapping process which constructs TB parameters and explicit basis from DFT calculations is developed. The method is applied to two materials: GaAs and MgO. Compared with the existing TB parameters, the GaAs parameters by DFT mapping show better agreement with the DFT results in bulk band structure calculations and lead to different indirect valleys when applied to nanowire calculations. The MgO TB parameters and TB basis functions are also obtained through the DFT mapping process.

cond-mat.mtrl-sci↗