Elemental vacancy diffusion database from high-throughput first-principles calculations for fcc and hcp structures

ISSN： 1367-2630

Source： New Journal of Physics, Vol.16, Iss.1, 2014-01, pp. : 1286-1306

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

Linear optical properties of defective KDP with oxygen vacancy: First-principles calculations

By Xin Chen Qian-Qian Zhao Xiao-Chun Wang Jun Chen Xin Ju

Chinese Physics B, Vol. 24, Iss. 7, 2015-07 ,pp. : 77802-77807

IOP Publishing

Access to resources Recommend Favorite

Unexpected buckled structures and tunable electronic properties in arsenic nanosheets: insights from first-principles calculations

By Wang Yanli Ding Yi

Journal of Physics: Condensed Matter, Vol. 27, Iss. 22, 2015-06 ,pp. : 225304-225313

IOP Publishing

Access to resources Recommend Favorite

Review of high pressure phases of calcium by first-principles calculations

Journal of Physics: Conference Series , Vol. 215, Iss. 1, 2010-03 ,pp. : 533-538

IOP Publishing

Access to resources Recommend Favorite

First-principles calculations of structure and high pressure phase transition in gallium nitride

By Li-Na Tan Cui-E Hu Bai-Ru Yu Xiang-Rong Chen

Chinese Physics, Vol. 16, Iss. 12, 2007-12 ,pp. : 3772-3776

IOP Publishing

Access to resources Recommend Favorite

High-Pressure Phase Transitions of PbTe Using the First-Principles Calculations

Chinese Physics Letters, Vol. 32, Iss. 1, 2015-01 ,pp. : 16101-16104

IOP Publishing

Access to resources Recommend Favorite