Electronic transport and phonon properties of maximally disordered alloys: From binaries to high-entropy alloys

Temperature-dependent phonon spectra of magnetic random solid solutions

(2018) Yuji Ikeda et al.   npj Computational Materials

Thermophysical properties of Ni-containing single-phase concentrated solid solution alloys

(2017) K. Jin et al.   MATERIALS & DESIGN

Rethinking phonons: The issue of disorder

(2017) Hamid Reza Seyf et al.   npj Computational Materials

Phonon broadening in high entropy alloys

(2017) Fritz Körmann et al.   npj Computational Materials

Calculating elastic constants in high-entropy alloys using the coherent potential approximation: Current issues and errors

(2016) Fuyang Tian et al.   COMPUTATIONAL MATERIALS SCIENCE

Giant Room Temperature Interface Spin Hall and Inverse Spin Hall Effects

(2016) Lei Wang et al.   PHYSICAL REVIEW LETTERS

Enhancing radiation tolerance by controlling defect mobility and migration pathways in multicomponent single-phase alloys

(2016) Chenyang Lu et al.   Nature Communications

Exceptional damage-tolerance of a medium-entropy alloy CrCoNi at cryogenic temperatures

(2016) Bernd Gludovatz et al.   Nature Communications

Tailoring the physical properties of Ni-based single-phase equiatomic alloys by modifying the chemical complexity

(2016) K. Jin et al.   Scientific Reports

Quantum Critical Behavior in a Concentrated Ternary Solid Solution

(2016) Brian C. Sales et al.   Scientific Reports

Ab initio thermodynamics of the CoCrFeMnNi high entropy alloy: Importance of entropy contributions beyond the configurational one

(2015) Duancheng Ma et al.   ACTA MATERIALIA

Spectral signatures of thermal spin disorder and excess Mn in half-metallic NiMnSb

(2015) K. D. Belashchenko et al.   PHYSICAL REVIEW B

Heavy-impurity resonance, hybridization, and phonon spectral functions inFe1−xMxSi (M=Ir, Os)

(2015) O. Delaire et al.   PHYSICAL REVIEW B

Calculating linear-response functions for finite temperatures on the basis of the alloy analogy model

(2015) H. Ebert et al.   PHYSICAL REVIEW B

Ab InitioConstruction of Magnetic Phase Diagrams in Alloys: The Case ofFe1−xMnxPt

(2015) B. S. Pujari et al.   PHYSICAL REVIEW LETTERS

Spin-Fluctuation Mechanism of Anomalous Temperature Dependence of Magnetocrystalline Anisotropy in Itinerant Magnets

(2015) I. A. Zhuravlev et al.   PHYSICAL REVIEW LETTERS

Spin Hall effects

(2015) Jairo Sinova et al.   REVIEWS OF MODERN PHYSICS

Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys

(2015) Yanwen Zhang et al.   Nature Communications

Ab initio design of elastically isotropic TiZrNbMoV high-entropy alloys

(2014) Fuyang Tian et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Vibrational free energy and phase stability of paramagnetic and antiferromagnetic CrN fromab initiomolecular dynamics

(2014) Nina Shulumba et al.   PHYSICAL REVIEW B

Deviations from Matthiessen's rule and resistivity saturation effects in Gd and Fe from first principles

(2014) J. K. Glasbrenner et al.   PHYSICAL REVIEW B

Metallic magnetism at finite temperatures studied by relativistic disordered moment description: Theory and applications

(2014) A. Deák et al.   PHYSICAL REVIEW B

Microscopic first-principles model of strain-induced interaction in concentrated size-mismatched alloys

(2014) I. A. Zhuravlev et al.   PHYSICAL REVIEW B

Temperature Dependent Magnon-Phonon Coupling in bcc Fe from Theory and Experiment

(2014) F. Körmann et al.   PHYSICAL REVIEW LETTERS

A fracture-resistant high-entropy alloy for cryogenic applications

(2014) B. Gludovatz et al.   SCIENCE

High-Entropy Alloys: A Critical Review

(2014) Ming-Hung Tsai et al.   Materials Research Letters

The influences of temperature and microstructure on the tensile properties of a CoCrFeMnNi high-entropy alloy

(2013) F. Otto et al.   ACTA MATERIALIA

Strong electron correlations stabilize paramagnetic cubic Cr1−xAlxN solid solutions

(2013) B. Alling et al.   APPLIED PHYSICS LETTERS

Recovery, recrystallization, grain growth and phase stability of a family of FCC-structured multi-component equiatomic solid solution alloys

(2013) Z. Wu et al.   INTERMETALLICS

Recovering hidden Bloch character: Unfolding electrons, phonons, and slabs

(2013) P. B. Allen et al.   PHYSICAL REVIEW B

Structural stability of NiCoFeCrAlxhigh-entropy alloy fromab initiotheory

(2013) Fuyang Tian et al.   PHYSICAL REVIEW B

Temperature-dependent effective third-order interatomic force constants from first principles

(2013) Olle Hellman et al.   PHYSICAL REVIEW B

Microstructures and properties of high-entropy alloys

(2013) Yong Zhang et al.   PROGRESS IN MATERIALS SCIENCE

High-entropy Alloys with High Saturation Magnetization, Electrical Resistivity and Malleability

(2013) Yong Zhang et al.   Scientific Reports

Spin injection from a half-metal at finite temperatures

(2012) K. D. Belashchenko et al.   PHYSICAL REVIEW B

First-principles study of spin-disorder resistivity of heavy rare-earth metals: Gd–Tm series

(2012) J. K. Glasbrenner et al.   PHYSICAL REVIEW B

Atomic forces at finite magnetic temperatures: Phonons in paramagnetic iron

(2012) F. Körmann et al.   PHYSICAL REVIEW B

Do Transition-Metal Substitutions Dope Carriers in Iron-Based Superconductors?

(2012) Tom Berlijn et al.   PHYSICAL REVIEW LETTERS

Spin-Torque Switching with the Giant Spin Hall Effect of Tantalum

(2012) L. Liu et al.   SCIENCE

Vibrational properties of Nix Pt1−x alloys: An understanding from ab initio calculations

(2011) Biswanath Dutta et al.   JOURNAL OF APPLIED PHYSICS

Phonon modes and vibrational entropy of disordered alloys with short-range order: A first-principles calculation

(2011) Aftab Alam et al.   PHYSICAL REVIEW B

First-principles calculations of magnetization relaxation in pure Fe, Co, and Ni with frozen thermal lattice disorder

(2011) Yi Liu et al.   PHYSICAL REVIEW B

Lattice dynamics of anharmonic solids from first principles

(2011) O. Hellman et al.   PHYSICAL REVIEW B

Extrinsic and Intrinsic Contributions to the Spin Hall Effect of Alloys

(2011) Stephan Lowitzer et al.   PHYSICAL REVIEW LETTERS

Calculating condensed matter properties using the KKR-Green's function method—recent developments and applications

(2011) H Ebert et al.   REPORTS ON PROGRESS IN PHYSICS

An ab initio investigation of how residual resistivity can decrease when an alloy is deformed

(2010) S. Lowitzer et al.   EPL

Ab initiocalculation of phonon dispersions in size-mismatched disordered alloys

(2010) Biswanath Dutta et al.   PHYSICAL REVIEW B

Unfolding First-Principles Band Structures

(2010) Wei Ku et al.   PHYSICAL REVIEW LETTERS

Effective Band Structure of Random Alloys

(2010) Voicu Popescu et al.   PHYSICAL REVIEW LETTERS

Coherent Description of the Intrinsic and Extrinsic Anomalous Hall Effect in Disordered Alloys on anAb InitioLevel

(2010) S. Lowitzer et al.   PHYSICAL REVIEW LETTERS

Anomalous Hall effect

(2010) Naoto Nagaosa et al.   REVIEWS OF MODERN PHYSICS

UNCLE: a code for constructing cluster expansions for arbitrary lattices with minimal user-input

(2009) D Lerch et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Cluster expansion method for multicomponent systems based on optimal selection of structures for density-functional theory calculations

(2009) Atsuto Seko et al.   PHYSICAL REVIEW B

First-principles analysis of spin-disorder resistivity of Fe and Ni

(2009) A. L. Wysocki et al.   PHYSICAL REVIEW B

Vibrational thermodynamics of materials

(2009) Brent Fultz   PROGRESS IN MATERIALS SCIENCE

Short-range correlations in disordered systems: nonlocal coherent-potential approximation

(2009) D A Rowlands   REPORTS ON PROGRESS IN PHYSICS

Theory of electronic transport in random alloys with short-range order: Korringa-Kohn-Rostoker nonlocal coherent potential approximation

(2008) P. R. Tulip et al.   PHYSICAL REVIEW B

First-principles calculations of spin relaxation times of conduction electrons in Cu with nonmagnetic impurities

(2008) D. V. Fedorov et al.   PHYSICAL REVIEW B

Entropy Driven Stabilization of Energetically Unstable Crystal Structures Explained from First Principles Theory

(2008) P. Souvatzis et al.   PHYSICAL REVIEW LETTERS