Polaronic distortion and vacancy-induced magnetism in MgO
نویسندگان
چکیده
منابع مشابه
Vacancy Defects Induced Magnetism in Armchair Graphdiyne Nanoribbon
Spin-polarized electronic and transport properties of Armchair GraphdiyneNanoribbons (A-GDYNR) with single vacancy (SV), two types of configurations fordouble vacancy (DV1, DV2) and multi vacancy (MV) defects are studied by nonequilibriumGreen’s function (NEGF) combined with density functional theory (DFT).The results demonstrate that the A-GDYNR with the SV has the lowe...
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MD simulations with pairwise potential on MgO and MgSiO3 vacancies pair were conducted to obtain the Newtonian viscosity of lower mantle. The results of MgO are such that the viscosity of the upper half portion in the lower mantle shows uniform structure but in the lower half it rapidly decreases to the core mantle boundary by two order of magnitude. On the other hand, the viscosity of MgSiO3 p...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2010
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.81.092403