Solid-state lanthanide (Ln) borides of the simple LnB6 composition not only exhibit exciting
physical behavior, in particular magnetic properties, but their electronic structure and …

By means of plane-wave density functional first-principles calculations within the
generalized gradient approximation (GGA), we report the structural, elastic and mechanical …

This study reports a room temperature mechanochemical route for the synthesis of LaB6
powders from La2O3–B2O3–Mg blends. The synthesis reaction was driven by high-energy …

Dodecaborides are promising high strength ceramic and refractory materials, due to the
excellent physical properties. However, the scarce systematic investigations of physical …

We have performed an ab initio study of structural, elastic, lattice-dynamical, and
thermodynamical properties of rare-earth hexaborides LaB 6 and CeB 6. The calculations …

Up to date, the electronic structure properties of amorphous lanthanum hexaboride, a-LaB 6,
were not yet investigated, and the thermodynamic and mechanical properties of crystalline …

Easy machining into sharp lending edge, nose tip and complex shape components plays a
pivotal role in the application of ultrahigh temperature ceramics in hypersonic vehicles …

We present a modeling framework and discuss the energetics and structural features of the
surface terminations of Ca, Ba, Sr and La hexaborides using density functional theory …

Transition metal borides have contributed to the success of ultrahigh-temperature materials
(UHTM) development. Current ZrB2-and HfB2-based UHTMs exhibit high-temperature …

The structural, elastic, and electronic properties of a series of lanthanide hexaborides (LnB
6) have been investigated by performing ab initio calculations based on the density …