Analytic projection from plane‐wave and PAW wavefunctions and application to chemical‐bonding analysis in solids
Quantum‐chemical computations of solids benefit enormously from numerically efficient
plane‐wave (PW) basis sets, and together with the projector augmented‐wave (PAW) …
plane‐wave (PW) basis sets, and together with the projector augmented‐wave (PAW) …
Direct hydrothermal synthesis of monoclinic VO 2 (M) single-domain nanorods on large scale displaying magnetocaloric effect
Monoclinic VO2 (M) is a prototype material for interpreting correlation effects in solids with
fully reversible phase transition between VO2 (M) and VO2 (R). Although VO2 (M) is the …
fully reversible phase transition between VO2 (M) and VO2 (R). Although VO2 (M) is the …
Magnetocaloric effects in a freestanding and flexible graphene-based superlattice synthesized with a spatially confined reaction
Superlattices have attracted great interest because of their tailorable electronic properties at
the interface. However, the lack of an efficient and low-cost synthetic method represents a …
the interface. However, the lack of an efficient and low-cost synthetic method represents a …
Tuning Ferro- and Metamagnetic Transitions in Rare-Earth Cobalt Phosphides La1−xPrxCo2P2
A family of rare-earth cobalt phosphides La1− x Pr x Co2P2 (0≤ x≤ 1) that belong to the
ThCr2Si2 structure type has been prepared and characterized by structural and magnetic …
ThCr2Si2 structure type has been prepared and characterized by structural and magnetic …
Superconductivity Induced by Site-Selective Arsenic Doping in Mo5Si3
BB Ruan, JN Sun, MH Zhou, QS Yang, YD Gu… - Inorganic …, 2022 - ACS Publications
Arsenic doping in silicides has been much less studied compared with phosphorus. In this
study, superconductivity is successfully induced by As doping in Mo5Si3. The …
study, superconductivity is successfully induced by As doping in Mo5Si3. The …
Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5–xEuxGe4 Phases
J Yao, P Wang, Y Mozharivskyj - Chemistry of Materials, 2012 - ACS Publications
Valence electron concentration is a viable chemical tool to control the crystal structure and
magnetism of Gd5Ge4. A decrease in the valence electron concentration achieved through …
magnetism of Gd5Ge4. A decrease in the valence electron concentration achieved through …
R5T4 compounds: An extraordinary versatile model system for the solid state science
Y Mudryk, VK Pecharsky, KA Gschneidner Jr - Handbook on the Physics …, 2014 - Elsevier
Rare earth metals form intermetallic compounds with most of the metallic and semimetallic
elements in the periodic table. Due to chemical similarities among 16 of the 17 rare earth …
elements in the periodic table. Due to chemical similarities among 16 of the 17 rare earth …
Abnormal thermal expansion, multiple transitions, magnetocaloric effect, and electronic structure of Gd6Co4. 85
The structure of known Gd 4 Co 3 compound is re-determined as Gd 6 Co 4.85, adopting the
Gd 6 Co 1.67 Si 3 structure type, which is characterized by two disorder Co sites filling the …
Gd 6 Co 1.67 Si 3 structure type, which is characterized by two disorder Co sites filling the …
Electronically Induced Ferromagnetic Transitions in -Type Magnetoresponsive Phases
The correlation between magnetic and structural transitions in Gd 5 Si x Ge 4-x hampers the
studies of valence electron concentration (VEC) effects on magnetism. Such studies require …
studies of valence electron concentration (VEC) effects on magnetism. Such studies require …
Structural, magnetic and magnetocaloric properties of the Gd5Si4− xSbx (x= 0.5–3.5) phases
V Svitlyk, YYJ Cheung, Y Mozharivskyj - Journal of Magnetism and …, 2010 - Elsevier
Substitution of Sb for Si in the Gd5Si4 phase results in the formation of ternary Gd5Si4−
xSbx phases with three different structure types. For x≤ 0.38 the Gd5Si4-type structure …
xSbx phases with three different structure types. For x≤ 0.38 the Gd5Si4-type structure …