نتایج جستجو برای: روکشکاری fe3al fe

تعداد نتایج: 78766  

2002
J. M. Sanchez B. Meyer

The local-spin-density approximation and the generalized-gradient approximation ~GGA! are used to perform density-functional total-energy calculations at zero temperature for Fe3Al in the ordered D03 and L12 structures. Our calculations show that commonly used GGA functionals fail to predict the experimentally stable D03 structure as the one with the lower total energy. This qualitative discrep...

Journal: :Physical review letters 2013
Bryan K Clark Jesse M Kinder Eric Neuscamman Garnet Kin-Lic Chan Michael J Lawler

The Dirac spin liquid ground state of the spin 1/2 Heisenberg kagome antiferromagnet has potential instabilities. This has been suggested as the reason why it does not emerge as the ground state in large-scale numerical calculations. However, previous attempts to observe these instabilities have failed. We report on the discovery of a projected BCS state with lower energy than the projected Dir...

Journal: :Chemical communications 2013
Yun Ling Mingli Deng Zhenxia Chen Bing Xia Xiaofeng Liu Yongtai Yang Yaming Zhou Linhong Weng

Using structure-directing agents, pore space partitions of a Zn-phosphonocarboxylate framework have been achieved. Selective adsorption of CO(2) over N(2) has been greatly improved from ca. 9 : 1 to 94 : 1.

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