| 000 | 02066nab a2200325 c 4500 | ||
|---|---|---|---|
| 001 | vtls000553162 | ||
| 003 | RU-ToGU | ||
| 005 | 20230319205137.0 | ||
| 007 | cr | | ||
| 008 | 161213|2015 enk s a eng d | ||
| 024 | 7 |
_a10.1088/1757-899X/77/1/012004 _2doi |
|
| 035 | _ato000553162 | ||
| 040 |
_aRU-ToGU _brus _cRU-ToGU |
||
| 100 | 1 |
_aBakulin, Alexander V. _994703 |
|
| 245 | 1 | 0 |
_aAb-initio study of cation-rich InP(001) and GaP(001) surface reconstructions and iodine adsorption _cA. V. Bakulin, A. N. Ponomarev, S. E. Kulkova |
| 504 | _aБиблиогр.: 19 назв. | ||
| 520 | 3 | _aAtomic and electronic structures for a number of InP and GaP (001) surface geometries were studied within the density functional theory (DFT) in order to reexamine the energy stability of surface reconstructions in the cation-rich limit. It is shown that in both cases the mixed dimer (24) reconstruction is the energetically favored in the cation rich limit. The ζ(42) reconstruction has the lowest surface energy among considered (42) surface structures. Comparative theoretical study of iodine adsorption on the semiconductor surface with ζ(42) and mixed dimer (24) structures was performed. It was shown that iodine prefers to be bonded with dimerized cation atoms irrespective on the surface reconstruction. | |
| 653 | _aфосфид индия | ||
| 653 | _aфосфид галлия | ||
| 653 | _aадсорбция | ||
| 653 | _aтеория функционала плотности | ||
| 655 | 4 |
_aстатьи в журналах _9879358 |
|
| 700 | 1 |
_aPonomarev, A. N. _9398351 |
|
| 700 | 1 |
_aKulkova, Svetlana E. _994704 |
|
| 773 | 0 |
_tIOP Conference Series: Materials Science and Engineering _d2015 _gVol. 77. P. 012004 (1-5) _x1757-8981 |
|
| 852 | 4 | _aRU-ToGU | |
| 856 | 7 | _uhttp://vital.lib.tsu.ru/vital/access/manager/Repository/vtls:000553162 | |
| 908 | _aстатья | ||
| 999 | _c406917 | ||