Crystal Field Splitting is Limiting the Stability and Strength of Ultra-incompressible Orthorhombic Transition Metal Tetraborides

Structure of superhard tungsten tetraboride: A missing link between MB2and MB12higher borides

(2015) Andrew T. Lech et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

High Pressure Phase-Transformation Induced Texture Evolution and Strengthening in Zirconium Metal: Experiment and Modeling

(2015) Xiaohui Yu et al.   Scientific Reports

Stability of 41 metal–boron systems at 0GPa and 30GPa from first principles

(2014) A.G. Van Der Geest et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

Exploring Hardness and the Distorted sp2 Hybridization of B–B Bonds in WB3

(2014) Qiang Tao et al.   CHEMISTRY OF MATERIALS

Hardness of FeB4: Density functional theory investigation

(2014) Miao Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Structural distortion and band gap opening of hard MnB4 in comparison with CrB4 and FeB4

(2014) Meng Yang et al.   JOURNAL OF SOLID STATE CHEMISTRY

Crystal structures, elastic properties, and hardness of high-pressure synthesized CrB2 and CrB4

(2014) S. Wang et al.   Journal of Superhard Materials

Variable-composition structural optimization and experimental verification of MnB3 and MnB4

(2014) Haiyang Niu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Bond deformation paths and electronic instabilities of ultraincompressible transition metal diborides: Case study ofOsB2andIrB2

(2014) R. F. Zhang et al.   PHYSICAL REVIEW B

First-principles calculation of the indentation strength ofFeB4

(2014) Bing Li et al.   PHYSICAL REVIEW B

Phonon-Assisted Crossover from a Nonmagnetic Peierls Insulator to a Magnetic Stoner Metal

(2014) Yongcheng Liang et al.   PHYSICAL REVIEW LETTERS

Revealing an unusual transparent phase of superhard iron tetraboride under high pressure

(2014) Komsilp Kotmool et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Electronic structures and mechanical properties of iron borides from first principles

(2014) Yanpeng Gou et al.   SOLID STATE COMMUNICATIONS

Interstitial-boron solution strengthened WB3+x

(2013) Xiyue Cheng et al.   APPLIED PHYSICS LETTERS

Possible Superhardness of CrB4

(2013) Arno Knappschneider et al.   INORGANIC CHEMISTRY

First principle study of elastic and thermodynamic properties of FeB4under high pressure

(2013) Xinyu Zhang et al.   JOURNAL OF APPLIED PHYSICS

Recent search for new superhard materials: Go nano!

(2013) Stan Veprek   JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A

Fundamental constraints on the strength of transition-metal borides: The case of CrB4

(2013) Bing Li et al.   PHYSICAL REVIEW B

Discovery of a Superhard Iron Tetraboride Superconductor

(2013) Huiyang Gou et al.   PHYSICAL REVIEW LETTERS

Global Structural Optimization of Tungsten Borides

(2013) Quan Li et al.   PHYSICAL REVIEW LETTERS

Origin of different plastic resistance of transition metal nitrides and carbides: Stiffer yet softer

(2013) R.F. Zhang et al.   SCRIPTA MATERIALIA

Toward Inexpensive Superhard Materials: Tungsten Tetraboride-Based Solid Solutions

(2012) Reza Mohammadi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure, bonding, and possible superhardness of CrB4

(2012) Haiyang Niu et al.   PHYSICAL REVIEW B

Stability and Strength of Transition-Metal Tetraborides and Triborides

(2012) R. F. Zhang et al.   PHYSICAL REVIEW LETTERS

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

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

XtalOpt version r7: An open-source evolutionary algorithm for crystal structure prediction

(2011) David C. Lonie et al.   COMPUTER PHYSICS COMMUNICATIONS

Anisotropic ideal strengths of superhard monoclinic and tetragonal carbon and their electronic origin

(2011) R. F. Zhang et al.   PHYSICAL REVIEW B

Thermodynamic identification of tungsten borides

(2011) Yongcheng Liang et al.   PHYSICAL REVIEW B

Superhard materials with low elastic moduli: Three-dimensional covalent bonding as the origin of superhardness inB6O

(2011) R. F. Zhang et al.   PHYSICAL REVIEW B

Tungsten tetraboride, an inexpensive superhard material

(2011) R. Mohammadi et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

XtalOpt: An open-source evolutionary algorithm for crystal structure prediction

(2010) David C. Lonie et al.   COMPUTER PHYSICS COMMUNICATIONS

Structural Modifications and Mechanical Properties of Molybdenum Borides from First Principles

(2010) Meiguang Zhang et al.   Journal of Physical Chemistry C

Shear-induced structural transformation and plasticity in ultraincompressibleReB2limit its hardness

(2010) R. F. Zhang et al.   PHYSICAL REVIEW B

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

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

Advancements in the Search for Superhard Ultra-Incompressible Metal Borides

(2009) Jonathan B. Levine et al.   ADVANCED FUNCTIONAL MATERIALS

Superhard nanocomposites: Origin of hardness enhancement, properties and applications

(2009) S. Veprek et al.   SURFACE & COATINGS TECHNOLOGY

Transition Metal Borides: Superhard versus Ultra-incompressible

(2008) Qinfen Gu et al.   ADVANCED MATERIALS

Origin of hardness in WB4 and its implications for ReB4, TaB4, MoB4, TcB4, and OsB4

(2008) Mei Wang et al.   APPLIED PHYSICS LETTERS

Anisotropic ideal strengths and chemical bonding of wurtzite BN in comparison to zincblende BN

(2008) R. F. Zhang et al.   PHYSICAL REVIEW B

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B