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Shi, H., Chang, L., Jia, R., Eglitis, R.I. (2013) Ab initio calculations for the F-center transfer and R centers in SrF2. Computational Materials Science, 79. 527-533 doi:10.1016/j.commatsci.2013.07.001

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Reference TypeJournal (article/letter/editorial)
TitleAb initio calculations for the F-center transfer and R centers in SrF2
JournalComputational Materials Science
AuthorsShi, H.Author
Chang, L.Author
Jia, R.Author
Eglitis, R.I.Author
Year2013 (November)Volume79
PublisherElsevier BV
DOIdoi:10.1016/j.commatsci.2013.07.001Search in ResearchGate
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Mindat Ref. ID9507871Long-form Identifiermindat:1:5:9507871:9
GUID0
Full ReferenceShi, H., Chang, L., Jia, R., Eglitis, R.I. (2013) Ab initio calculations for the F-center transfer and R centers in SrF2. Computational Materials Science, 79. 527-533 doi:10.1016/j.commatsci.2013.07.001
Plain TextShi, H., Chang, L., Jia, R., Eglitis, R.I. (2013) Ab initio calculations for the F-center transfer and R centers in SrF2. Computational Materials Science, 79. 527-533 doi:10.1016/j.commatsci.2013.07.001
In(n.d.) Computational Materials Science Vol. 79. Elsevier BV

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Jia, R., Shi, H., Borstel, G. (2008) Ab initio calculations for SrF2 with F- and M-centers. Computational Materials Science, 43 (4). 980-988 doi:10.1016/j.commatsci.2008.02.012
Shi, H., Eglitis, R.I., Borstel, G. (2007) Ab initio calculations of the oxygen–vacancy dipoles and M centers in CaF2. Computational Materials Science, 39 (2). 430-436 doi:10.1016/j.commatsci.2006.07.015
Shi, H., Jia, R., Eglitis, R.I. (2014) First-principles simulations of H centers in CaF2. Computational Materials Science, 89. 247-256 doi:10.1016/j.commatsci.2014.03.058
Shi, H., Chang, L., Jia, R., Eglitis, R. I. (2012) Ab Initio Calculations of the Transfer and Aggregation of F Centers in CaF2. The Journal of Physical Chemistry C, 116 (7). 4832-4839 doi:10.1021/jp208845w
Shi, H., Jia, R., Eglitis, R.I. (2012) First-principles calculations on surface hydroxyl impurities in BaF2. Computational Materials Science, 53 (1). 220-225 doi:10.1016/j.commatsci.2011.09.014
Shi, Hongting, Wang, Yan, Jia, Ran, Eglitis, Roberts I. (2011) Ab initio calculations of the hydroxyl impurities in BaF2. Computational Materials Science, 50 (11). 3101-3104 doi:10.1016/j.commatsci.2011.05.033
Shi, H., Chang, L., Jia, R., Eglitis, R. I. (2012) Ab Initio Calculations of Hydroxyl Impurities in CaF2. The Journal of Physical Chemistry C, 116 (10). 6392-6400 doi:10.1021/jp211075g
Fernández, E.M., Eglitis, R.I., Borstel, G., Balbás, L.C. (2007) Ab initio calculations of H2O and O2 adsorption on Al2O3 substrates. Computational Materials Science, 39 (3). 587-592 doi:10.1016/j.commatsci.2006.08.010
Shi, H., Jia, R., Eglitis, R.I. (2011) First-principles simulations on the aggregation of F centers in BaF2: R centers. Solid State Ionics, 187 (1) 1-7 doi:10.1016/j.ssi.2011.01.011
Kotomin, E.A., Christensen, N.E., Eglitis, R.I., Borstel, G. (1998) A comparative study of the atomic and electronic structure of F centers in ferroelectric KNbO3: Ab initio and semi-empirical calculations. Computational Materials Science, 10 (1). 339-345 doi:10.1016/s0927-0256(97)00134-1
Jia, Ran, Yi, Zhijun, Liu, Chunsheng, Shi, Hongting, Zhang, Hongxing, Eglitis, Roberts I. (2013) First principles studies of the self trapped hole and the fluorine adsorption on the SrF2(111) surface. Computational Materials Science, 73. 9-14 doi:10.1016/j.commatsci.2013.02.009
 
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