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We propose a novel approach to model amorphous materials using a first principles density functional method while simultaneously enforcing agreement with selected experimental data. We illustrate our method with applications to amorphous…
A combination of micro-Raman spectroscopy and micro-XPS (X-ray photo-electron spectroscopy) mapping on statically deflected p-type silicon cantilevers is used to study the mechanical stress dependence of the Fermi level pinning at an…
When the elastic properties of structured materials become direction-dependent, the number of their descriptors increases. For example, in two-dimensions, the anisotropic behavior of materials is described by up to 6 independent elastic…
The cuprate superconductors and certain organic conductors exhibit transport which is qualitatively anisotropic, yet at the same time other properties of these materials strongly suggest the existence of a Fermi surface and low energy…
Thermal properties have an outsized impact on efficiency and sensitivity of devices with nanoscale structures, such as in integrated electronic circuits. A number of thermal conductivity measurements for semiconductor nanostructures exist,…
The microscopic mechanism governing the zero-resistance flow of current in some iron-based, high-temperature superconducting materials is not well understood up to now. A central issue concerning the investigation of these materials is…
The ability to tune the competition between the in-plane and out-of-plane orientation of magnetization provides a means to construct thermal sensors with a sharp spin re-orientation transition at specific temperatures. We have observed such…
A 1D model study of charge transport in nano-devices is made by comparing multi-configuration time dependent Hartree-Fock and frozen core calculations. The influence of exchange and Coulomb correlation on the tunneling current is…
We study electronic transport properties of ferromagnetic nanoparticle arrays and nanodomain materials near the Curie temperature in the limit of weak coupling between the grains. We calculate the conductivity in the Ohmic and non-Ohmic…
We seek transport barriers and transport enhancers as material surfaces across which the transport of diffusive tracers is minimal or maximal in a general, unsteady flow. We find that such surfaces are extremizers of a universal,…
The magnetic field-pressure-temperature (H-P-T) phase diagram for first order antiferromagnetic (AFM) to ferromagnetic (FM) transition in Fe49(Rh0.93Pd0.07)51 has been constructed using resistivity measurements under simultaneous…
Comparing resistivity data of quasi-one dimensional superconductors (TMTSF)_2PF_6 and (TMTSF)_2ClO_4 along the least conducting c*-axis and along the high conductivity a -axis as a function of temperature and pressure, a low temperature…
The damping rates of high quality factor nanomechanical resonators are well beyond intrinsic limits. Here, we explore the underlying microscopic loss mechanisms by investigating the temperature-dependent damping of the fundamental and third…
Scaling transistors' dimensions has been the thrust for the semiconductor industry in the last 4 decades. However, scaling channel lengths beyond 10 nm has become exceptionally challenging due to the direct tunneling between source and…
I present theoretical calculations of the thermal conductivity of Fermi liquid 3He confined to a slab of thickness of order 100nm. The effect of the roughness of the confining surfaces is included directly in terms of the surface roughness…
First principles electronic structure calculations are carried out to investigate the band alignments of tensile strained (001) Ge interfaced with (001) In$_{x}$Al$_{1-x}$As. The sensitivities of band offsets to interfacial structure,…
We study theoretically the anisotropic magneto-Peltier effect, which was recently demonstrated experimentally. A first-principles-based Boltzmann transport approach including the spin-orbit interaction shows that Ni has a larger anisotropy…
Torque magnetometry is a convenient technique to measure the magnetic properties of anisotropic materials. Advances in micromachining and the availability of robust materials with which such magnetometers can be fabricated has made them…
Separating electron and phonon thermal conductivity components is imperative for understanding the principle thermal transport mechanisms in metals and highly desirable in many applications. In this work, we predict the mode-dependent…
We demonstrate the relation between critical temperature $T_{\rm c}$ and transport properties in $R$FeP$_{1-x}$As$_x$O$_{0.9}$F$_{0.1}$ ($R$=La, Pr and Nd). $T_{\rm c}$ and resistivity power-law exponent $n$ form a universal line on the…