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11 papers · 2 filters
Anomalous magneto-structural behavior of MnBi explained: a path towards an improved permanent magnet
N. A. Zarkevich, L. -L. Wang, D. D. Johnson
Low-temperature MnBi (hexagonal NiAs phase) exhibits anomalies in the lattice constants (a, c) and bulk elastic modulus (B) below 100 K, spin reorientation and magnetic susceptibil…
Thermodynamic and transport properties of single crystalline RCoGe (R = Y, La-Nd, Sm-Tm)
Tai Kong, Charles E. Cunningham, Valentin Taufour +5
Single crystals of RCoGe (R = Y, La-Nd, Sm-Tm) were grown using a self-flux method and were characterized by room-temperature powder x-ray diffraction; anisotropic, tem…
Suppression of ferromagnetism in the La(VCr)Sb system
Xiao Lin, Valentin Taufour, Sergey L. Bud'ko +1
To explore the possibility of quantum phase transitions and even quantum criticality in LaCrSb based compounds, we performed measurements under pressure as well as a vanadium s…
Mixed valency and site-preference chemistry for Cerium and its compounds: A predictive DFT study
Aftab Alam, D D Johnson
Cerium and its technologically relevant compounds are examples of anomalous mixed valency, originating from two competing oxidation states -- itinerant Ce and localized Ce$^…
Adaptive Genetic Algorithm for Crystal Structure Prediction
S. Q. Wu, M. Ji, C. Z. Wang +5
We present a genetic algorithm (GA) for structural search that combines the speed of structure exploration by classical potentials with the accuracy of density functional theory (D…
Single crystal growth and characterization of the large-unit-cell compound Cu13Ba
A. Jesche, S. L. Bud'ko, P. C. Canfield
Single crystals of CuBa were successfully grown out of Ba-Cu self flux. Temperature dependent magnetization, , electrical resistivity, , and specific heat, $C_p(…