Electride characteristics of M2(?5-E5)2 (M = Be, Mg; E = Sb5-)

Topological Electride Y2C.

Two-dimensional (2D) electrides are layered ionic crystals in which anionic electrons are confined in the interlayer space. Here, we report a discovery of nontrivial [Formula: see text] topology in the electronic structures of 2D electride Y2C. Based on first-principles calculations, we found a topological [Formula: see text] invariant of (1; 111) for the bulk band and topologically protected s...

A density functional study of the high-pressure chemistry of MSiN2 (M = Be, Mg, Ca):

Normal pressure modifications and tentative high-pressure phases of the nitridosilicates MSiN2 with M = Be, Mg, or Ca have been thoroughly studied by density functional methods. At ambient pressure, BeSiN2 and MgSiN2 exhibit an ordered wurtzite variant derived from idealized filled β-cristobalite by a C1-type distortion. At ambient pressure, the structure of CaSiN2 can also be derived from idea...

مطالعه شونیت های کروماتی M M (Cro ) 6،H O M = NH ,Rb ,Cs ,…, M =Mg ,Ni ,…

Electro Discharge Machining Characteristics of Mg/SiCP Metal matrix composites by Powder Metallurgy (P/M) Techniques

The objective of this work is to investigate the effects of current, pulse on time and pulse off time in Electro Discharge Machining performance on material removal rate and tool wear rate of Mg/SiCp metal matrix composites. In this work the Mg/SiCp metal matrix composite specimens were prepared by powder metallurgy route. ELEKTRA PLUS spark erosion machine was used for the purpose. Brass tool ...

مطالعات نظری بر روی ماهیت پیوندهای C→E و E→M در کمپلکس های [NHC→E2H4→M(CO)5] (E=Ge, Sn, Pb, M=Cr, Mo, W)

در این پروژه مطالعات نظری بر روی  ساختار و ماهیت پیوندهای  C EوE M  در برخی از کمپلکس های N-هتروسیکلیک کاربن با فرمول عمومی   [NHC→E2H4→M(CO)5]; (E=Ge, Sn, Pb, M=Cr, Mo, W) در سطح تئوریM06/def2-TZVP  گزارش شده است. انرژی برهمکنش پیوندهای C E  و E M در کمپلکس های فوق  محاسبه و مقادیر حاصل نشان داد که انرژی برهمکنش پیوندهای C→E  و E→M  در حضور اتم M یکسان و با تغییر اتم E از Ge به سمت Pb کاهش می ...