How to quantify energy landscapes of solids (2009)
Oganov, Artem R., Valle, Mario
We explore whether the topology of energy landscapes in chemical systems obeys any rules and what these rules are. To answer this and related questions we use several tools: (i)Reduced energy surface...
Ionic high-pressure form of elemental boron (2009)
Oganov, Artem R., Chen, Jiuhua, Gatti, Carlo, Ma, Yanzhang, Ma, Yanming, Glass, Colin W., ...
Boron is an element of fascinating chemical complexity. Controversies have shrouded this element since its discovery was announced in 1808: the new 'element' turned out to be a compound containing...
New high-pressure form of boron is significantly ionic (2009)
Oganov, Artem R., Chen, Jiuhua, Gatti, Carlo, Ma, Yanzhang, Ma, Yanming, Glass, Colin W., ...
The comment of Dubrovinskaia et al. is scientifically flawed. The high-pressure form of boron, discovered by Oganov et al., is indeed new and its bonding has a significant ionic character, as...
Schoenborn, Sandro E., Goedecker, Stefan, Roy, Shantanu, Oganov, Artem R.
We compare Evolutionary Algorithms with Minima Hopping for global optimization in the field of cluster structure prediction. We introduce a new {\em average offspring} recombination operator and...
Superconducting high pressure phase of germane (2008)
Gao, Guoying, Oganov, Artem R., Bergara, Aitor, Martinez-Canales, Miguel, Cui, Tian, Iitaka, Toshiaki, ...
4 pages, 3 figures.-- PACS nrs.: 74.70.Ad, 74.10.+v, 74.25.Jb, 74.62.Fj.
The high-pressure phase of alumina and implications for Earth's D″ layer
Oganov, Artem R., Ono, Shigeaki
Using ab initio simulations and high-pressure experiments in a diamond anvil cell, we show that alumina (Al2O3) adopts the CaIrO3-type structure above 130 GPa. This finding substantially changes the...
The high-pressure phase of alumina and implications for Earth's D″ layer
Oganov, Artem R., Ono, Shigeaki
Using ab initio simulations and high-pressure experiments in a diamond anvil cell, we show that alumina (Al2O3) adopts the CaIrO3-type structure above 130 GPa. This finding substantially changes the...