Interfacial Ga-As suboxide: Structural and electronic properties

Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave). Quantum ESPRESSO stands for "opEn Source Package for Research in Electronic Structure, Simulation, and Optimization". It is freely available to researchers around the world under the terms of the GNU General Public License. Quantum ESPRESSO builds upon newly-restructured electronic-structure codes that have been developed and tested by some of the original authors of novel electronic-structure algorithms and applied in the last twenty years by some of the leading materials modeling groups worldwide. Innovation and efficiency are still its main focus, with special attention paid to massively-parallel architectures, and a great effort being devoted to user friendliness. Quantum ESPRESSO is evolving towards a distribution of independent and inter-operable codes in the spirit of an open-source project, where researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes.

For 50 years the exponential rise in the power of electronics has been fuelled by an increase in the density of silicon complementary metal-oxide-semiconductor (CMOS) transistors and improvements to their logic performance. But silicon transistor scaling is now reaching its limits, threatening to end the microelectronics revolution. Attention is turning to a family of materials that is well placed to address this problem: group III-V compound semiconductors. The outstanding electron transport properties of these materials might be central to the development of the first nanometre-scale logic transistors. © 2011 Macmillan Publishers Limited. All rights reserved