Discovery of a Superhard Iron Tetraboride Superconductor

Possible Superhardness of CrB4

(2013) Arno Knappschneider et al.   INORGANIC CHEMISTRY

Perspective on density functional theory

(2012) Kieron Burke   JOURNAL OF CHEMICAL PHYSICS

From the computer to the laboratory: materials discovery and design using first-principles calculations

(2012) Geoffroy Hautier et al.   JOURNAL OF MATERIALS SCIENCE

Structure, bonding, and possible superhardness of CrB4

(2012) Haiyang Niu et al.   PHYSICAL REVIEW B

Possible routes for synthesis of new boron-rich Fe–B and Fe1−xCrxB4 compounds

(2011) A. F. Bialon et al.   APPLIED PHYSICS LETTERS

Conceptual progress for explaining and predicting semiconductor properties

(2011) Marvin L. Cohen   JOURNAL OF MATERIALS RESEARCH

Superconductivity gets an iron boost

(2010) Igor I. Mazin   NATURE

New Superconducting and Semiconducting Fe-B Compounds Predicted with anAb InitioEvolutionary Search

(2010) A. N. Kolmogorov et al.   PHYSICAL REVIEW LETTERS

Boron: Elementary Challenge for Experimenters and Theoreticians

(2009) Barbara Albert et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Crystal structure prediction from first principles

(2008) Scott M. Woodley et al.   NATURE MATERIALS

Thermodynamics and superconductivity of the Th7(Fe, Ru, Os, Co, Rh, Ir)3system

(2008) J.L. Smith et al.   PHILOSOPHICAL MAGAZINE

Thermodynamic stabilities of ternary metal borides: Anab initioguide for synthesizing layered superconductors

(2008) Aleksey N. Kolmogorov et al.   PHYSICAL REVIEW B