First principles study-D88 lattice stability of low-rate metalloid Ti5Si3

First principles study is reported for the band structures, site and angular momentum decomposed density of states, and the electronic charge density distributions in high-temperature structural materials D88-Ti5Si3 with the addition of low-rate metalloid: carbon, boron, nitrogen and oxygen. It show...

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Veröffentlicht in:	Wuhan University journal of natural sciences 1998-12, Vol.3 (4), p.433-439
Hauptverfasser:	Lihua, Hong, Yiying, Ye, Huawei, Gu
Format:	Artikel
Sprache:	eng
Schlagworte:	Angular momentum Boron Charge density Electronic structure First principles High temperature Metalloid atoms
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description	First principles study is reported for the band structures, site and angular momentum decomposed density of states, and the electronic charge density distributions in high-temperature structural materials D88-Ti5Si3 with the addition of low-rate metalloid: carbon, boron, nitrogen and oxygen. It shows that how the addition of metalloid atoms can stabilize Nowotny phase of Ti5Si3 from the viewpoint of the electron structure.
doi_str_mv	10.1007/BF02830045
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issn	1007-1202 1993-4998
language	eng
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subjects	Angular momentum Boron Charge density Electronic structure First principles High temperature Metalloid atoms
title	First principles study-D88 lattice stability of low-rate metalloid Ti5Si3
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