AB INITIO STUDY OF DIFFERENT PROBABLE STRUCTURES OF GROUP III ANTIMONIDES
作者： ANOOP PANDEY , APOORVA DWIVEDI , SAIKAT MUKHOPADHYAY , NEERAJ MISRA
DOI: 10.1142/S0219633613500569
关键词:
摘要: Ab initio studies of the small (AlSb, InSb, GaSb) clusters is performed to investigate changes in structural, vibrational and electronic properties. The calculated results clearly demonstrate that any change configuration neutral gives rise noticeable structure. structures neutral, positively negatively charged are fully optimized, taking importance symmetry into account all cases. properties explained keeping mind interatomic distances due configuration.
sci-hub.se 参考文章(20)
C. Bocchi, A. Bosacchi, C. Ferrari, S. Franchi, P. Franzosi, R. Magnanini, L. Nasi, Determination of lattice parameters in the epitaxial AlSb/GaSb system by high resolution X-ray diffraction Journal of Crystal Growth. ,vol. 165, pp. 8- 14 ,(1996) , 10.1016/0022-0248(96)00148-0
MARILENA CARBONE, RUGGERO CAMINITI, ADSORPTION STATES AND SITE CONVERSIONS OF PHENYLACETYLENE ON Si(100)2 × 1 CALCULATED BY DFT Journal of Theoretical and Computational Chemistry. ,vol. 11, pp. 1089- 1099 ,(2012) , 10.1142/S0219633612500721
GUOLIANG LI, WENLIANG MA, AIMEI GAO, HONGYU CHEN, DAVID FINLOW, QIAN-SHU LI, DENSITY FUNCTIONAL THEORY STUDIES OF CHARGED, COPPER-DOPED, SMALL SILICON CLUSTERS, ${\rm CuSi}_{n}^{+}/{\rm CuSi}_{n}^{-}$ (n = 1–7) Journal of Theoretical and Computational Chemistry. ,vol. 11, pp. 185- 196 ,(2012) , 10.1142/S0219633612500125
YANLI HUO, MEISHAN WANG, CHUANLU YANG, HONGFEI WANG, ZIXIA MA, THE STUDY OF THE PROPERTIES OF THE GROUND- AND LOW-LYING EXCITED STATES OF ASH2, ${\rm ASH}_{2}^{+}$ AND ${\rm ASH}_{2}^{-}$ Journal of Theoretical and Computational Chemistry. ,vol. 12, pp. 1250115- ,(2013) , 10.1142/S0219633612501155
Axel D. Becke, Density-functional thermochemistry. III. The role of exact exchange Journal of Chemical Physics. ,vol. 98, pp. 5648- 5652 ,(1993) , 10.1063/1.464913
C.R. Bolognesi, D.H. Chow, InAs/AlSb dual-gate HFETs IEEE Electron Device Letters. ,vol. 17, pp. 534- 536 ,(1996) , 10.1109/55.541772
Anil K. Kandalam, M. A. Blanco, Ravindra Pandey, Theoretical Study of Structural and Vibrational Properties of Al3N3, Ga3N3, and In3N3 Journal of Physical Chemistry B. ,vol. 105, pp. 6080- 6084 ,(2001) , 10.1021/JP004404P
Saikat Mukhopadhyay, S. Gowtham, Ravindra Pandey, Aurora Costales, Theoretical study of small clusters of indium oxide: InO, In2O,InO2,In2O2 Journal of Molecular Structure-theochem. ,vol. 948, pp. 31- 35 ,(2010) , 10.1016/J.THEOCHEM.2010.02.016
Aurora Costales, Ravindra Pandey, A theoretical study of structural, vibrational, and electronic properties of neutral, positive, and negative indium arsenide clusters, InnAsn(n=1,2,3) Chemical Physics Letters. ,vol. 362, pp. 210- 216 ,(2002) , 10.1016/S0009-2614(02)01076-X
I. Prevot, X. Marcadet, O. Durand, R. Bisaro, F.H. Julien, Optical and structural investigation of InAs/AlSb/GaSb heterostructures Optical Materials. ,vol. 17, pp. 193- 195 ,(2001) , 10.1016/S0925-3467(01)00044-1