000 01979nlm1a2200349 4500
001 638907
005 20231030040301.0
035 _a(RuTPU)RU\TPU\network\3304
071 6 0 _aDOI 10.1134/S1063783408030256
090 _a638907
100 _a20150216a2008 k y0engy50 ba
101 0 _aeng
102 _aDE
135 _adrcn ---uucaa
181 0 _ai
182 0 _ab
200 1 _aEffect of oxygen vacancies on adhesion at the Nb/Al2O3 and Ni/ZrO2 interfaces
_fS. V. Eremeev, L. Yu. Nemirovich-Danchenko, S. E. Kul’kova
203 _aText
_celectronic
300 _aTitle screen
320 _a[References: p. 552 (17 tit.)]
330 _aThe atomic and electronic structures of the Nb/Al2O3(0001) and Ni/ZrO2(001) interfaces are calculated using density-functional theory. The formation energy of oxygen vacancies is estimated in bulk materials and in surface layers and interfaces for different uppermost atomic layers of oxide surfaces. The work of separation of metal films from oxide surfaces is determined. The effect of oxygen vacancies on the bonding of transition metals to atoms of a substrate determining adhesion at the metal-oxide interfaces is discussed. It is shown that the Nb(Ni)-O interaction at the interfaces weakens in the presence of surface oxygen vacancies.
333 _aРежим доступа: по договору с организацией-держателем ресурса
461 _tPhysics of the Solid State
_oScientific Journal
463 _tVol. 50, iss. 3
_v[P. 543-552]
_d2008
610 1 _aэлектронный ресурс
610 1 _aтруды учёных ТПУ
700 1 _aEremeev
_bS. V.
701 1 _aNemirovich-Danchenko
_bL. Yu.
_cphysicist
_csenior teacher Tomsk Polytechnic University
_f1981-
_gLubov Yur'evna
_2stltpush
_3(RuTPU)RU\TPU\pers\33577
701 1 _aKul’kova
_bS. E.
801 2 _aRU
_b63413507
_c20150217
_gRCR
856 4 _uhttp://link.springer.com/article/10.1134%2FS1063783408030256
942 _cCF