BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients

GKH Madsen, J Carrete, MJ Verstraete - Computer Physics …, 2018 - Elsevier
BoltzTraP2 is a software package for calculating a smoothed Fourier expression of periodic
functions and the Onsager transport coefficients for extended systems using the linearized …

Axis dependent conduction polarity in the air-stable semiconductor, PdSe 2

RA Nelson, Z Deng, AM Ochs, KG Koster, CT Irvine… - Materials …, 2023 - pubs.rsc.org
Axis-dependent conduction polarity (ADCP) is a unique electronic phenomena in which the
charge polarity of carrier conduction can differ from p-type to n-type depending on the …

Electrical and thermal transport properties of icosahedral and decagonal quasicrystals

J Dolinšek - Chemical Society Reviews, 2012 - pubs.rsc.org
Electrical and thermal transport properties of quasicrystals are reviewed on the examples of i-
Ag–In–Yb and i-Al–Cu–Fe icosahedral phases and d-Al–Co–Ni decagonal phase. Using …

Band Anisotropy Generates Axis-Dependent Conduction Polarity of Mg3Sb2 and Mg3Bi2

Y Goto, H Usui, M Murata, JE Goldberger… - Chemistry of …, 2024 - ACS Publications
Materials that exhibit axis-dependent conduction polarity, meaning simultaneous p-and n-
type conduction along different crystallographic directions, could be used to develop novel …

Surfaces of Al-based complex metallic alloys: atomic structure, thin film growth and reactivity

J Ledieu, É Gaudry, V Fournée - Science and technology of …, 2014 - iopscience.iop.org
We present a review on recent work performed on periodic complex metallic alloy (CMA)
surfaces. The electronic and crystallographic structures of clean pseudo-tenfold, pseudo …

Axis-Dependent Conduction Polarity in WSi2 Single Crystals

KG Koster, Z Deng, CE Moore, JP Heremans… - Chemistry of …, 2023 - ACS Publications
Materials that demonstrate axis-dependent conduction polarity enable new technologies by
integrating p-and n-type functionality into a single crystal. Certain anisotropic crystal …

Inhomogeneity and anisotropy of chemical bonding and thermoelectric properties of materials

Y Grin - Journal of Solid State Chemistry, 2019 - Elsevier
While the phenomenon of thermoelectricity is well understood from the physical point of
view, the chemical aspects of thermoelectric properties are still under consideration. This …

The chemical design principles for axis-dependent conduction polarity

Y Wang, KG Koster, AM Ochs… - Journal of the …, 2020 - ACS Publications
The recent discovery that specific materials can simultaneously exhibit n-type conduction
and p-type conduction along different directions of the single crystal has the potential to …

Physical properties of face-centered cubic structured high-entropy alloys: Effects of NiCo, NiFe, and NiCoFe alloying with Mn, Cr, and Pd

P Bag, YC Su, YK Kuo, YC Lai, SK Wu - Physical Review Materials, 2021 - APS
This paper reports a comprehensive study of electrical and thermal transport properties of a
series of face-centered cubic structured high-entropy alloys by alloying Mn, Cr, and Pd …

Complex intermetallic compounds as selective hydrogenation catalysts–A case study for the (1 0 0) surface of Al13Co4

M Krajčí, J Hafner - Journal of catalysis, 2011 - Elsevier
Recently, a novel concept for the design of selective and stable catalysts for the
hydrogenation of alkynes has been announced–the isolation of the active sites on the …