The Experts below are selected from a list of 2865 Experts worldwide ranked by ideXlab platform
Shumin Wang - One of the best experts on this subject based on the ideXlab platform.
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the effect of biin hetero Antisite Defects in in1 xpbix alloy
Journal of Alloys and Compounds, 2016Co-Authors: Chuanghua Yang, Dan Liang, Chunfang Zhang, Shumin WangAbstract:Bi-In hetero-Antisite Defects in InP:Bi alloy is performed by using first-principle calculations. It is found that the hetero-Antisite defect Bi-In is energetically easier than BiP. This Bi-In defect is a deep level donor, and the related defect band is introduced by the sp-hybridization mainly between the 6s state of Bi-In and 3p states of the nearest P atoms. The band gap of InP:Bi alloy increases slightly with the increase of Bi compositions, and the relative position of the defect level remains almost unchanged. These results represent that hetero-Antisite defect Bi-In does not contribute to the reduction of the band gap of InP:Bi alloy. The calculations of optical properties show that hetero-Antisite defect Bi-In can contribute to the red shift phenomena observed in experiment as the Bi composition increases. In addition, the interaction of two Bi-In atoms can result in the split of the impurity band and cause a strong absorption in near-infrared region, indicating it can be a potential candidate for optoelectronics application.
Brian A Korgel - One of the best experts on this subject based on the ideXlab platform.
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pervasive cation vacancies and Antisite Defects in copper indium diselenide cuinse2 nanocrystals
Journal of Physical Chemistry C, 2019Co-Authors: Daniel W Houck, Eli I Assaf, Haein Shin, Randalynn M Greene, Douglas R Pernik, Brian A KorgelAbstract:Copper indium diselenide (CuInSe2) is a prototype ternary compound and group I–III–VI semiconductor with useful optoelectronic properties. CuInSe2 nanocrystals have been of significant interest because of their size-tunable optical properties and lack of toxic heavy metals. Because of the particular vacancy and Antisite substitutional point Defects in CuInSe2, large stoichiometric deviations can be tolerated, sometimes leading to the so-called ordered vacancy compounds (OVCs). Here, we use Raman spectroscopy of oleylamine-capped CuInSe2 nanocrystals and ab initio lattice dynamics modeling to study the concentration and arrangements of (2vCu– + InCu2+) defect pairs in the nanocrystals. The nanocrystals have randomly distributed defect pairs that become mobile under light excitation and accumulate, as in OVCs, along the [100] direction. Because the high concentration of vacancies in CuInSe2 nanocrystals is compensated by InCu2+ Antisite Defects, these nanocrystals do not exhibit an optical plasmon resonance...
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Pervasive Cation Vacancies and Antisite Defects in Copper Indium Diselenide (CuInSe2) Nanocrystals
2019Co-Authors: Daniel W. Houck, Eli I Assaf, Haein Shin, Randalynn M Greene, Douglas R Pernik, Brian A KorgelAbstract:Copper indium diselenide (CuInSe2) is a prototype ternary compound and group I–III–VI semiconductor with useful optoelectronic properties. CuInSe2 nanocrystals have been of significant interest because of their size-tunable optical properties and lack of toxic heavy metals. Because of the particular vacancy and Antisite substitutional point Defects in CuInSe2, large stoichiometric deviations can be tolerated, sometimes leading to the so-called ordered vacancy compounds (OVCs). Here, we use Raman spectroscopy of oleylamine-capped CuInSe2 nanocrystals and ab initio lattice dynamics modeling to study the concentration and arrangements of (2vCu– + InCu2+) defect pairs in the nanocrystals. The nanocrystals have randomly distributed defect pairs that become mobile under light excitation and accumulate, as in OVCs, along the [100] direction. Because the high concentration of vacancies in CuInSe2 nanocrystals is compensated by InCu2+ Antisite Defects, these nanocrystals do not exhibit an optical plasmon resonance like many other copper chalcogenide nanocrystals. Annealing the nanocrystals at a high temperature (600 °C) was found to significantly reduce the defect concentration
Annica M Blackschaffer - One of the best experts on this subject based on the ideXlab platform.
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spontaneous ferromagnetism and finite surface energy gap in the topological insulator bi 2 se 3 from surface bi se Antisite Defects
Physical Review B, 2020Co-Authors: Suhas Nahas, Biplab Sanyal, Annica M BlackschafferAbstract:We perform ab initio calculations on Bi-sc Antisite Defects in the surface of Bi2Se3, finding strong low-energy defect resonances with a spontaneous ferromagnetism, fixed to an out-of-plane orienta ...
Daniel W Houck - One of the best experts on this subject based on the ideXlab platform.
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pervasive cation vacancies and Antisite Defects in copper indium diselenide cuinse2 nanocrystals
Journal of Physical Chemistry C, 2019Co-Authors: Daniel W Houck, Eli I Assaf, Haein Shin, Randalynn M Greene, Douglas R Pernik, Brian A KorgelAbstract:Copper indium diselenide (CuInSe2) is a prototype ternary compound and group I–III–VI semiconductor with useful optoelectronic properties. CuInSe2 nanocrystals have been of significant interest because of their size-tunable optical properties and lack of toxic heavy metals. Because of the particular vacancy and Antisite substitutional point Defects in CuInSe2, large stoichiometric deviations can be tolerated, sometimes leading to the so-called ordered vacancy compounds (OVCs). Here, we use Raman spectroscopy of oleylamine-capped CuInSe2 nanocrystals and ab initio lattice dynamics modeling to study the concentration and arrangements of (2vCu– + InCu2+) defect pairs in the nanocrystals. The nanocrystals have randomly distributed defect pairs that become mobile under light excitation and accumulate, as in OVCs, along the [100] direction. Because the high concentration of vacancies in CuInSe2 nanocrystals is compensated by InCu2+ Antisite Defects, these nanocrystals do not exhibit an optical plasmon resonance...
Randalynn M Greene - One of the best experts on this subject based on the ideXlab platform.
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pervasive cation vacancies and Antisite Defects in copper indium diselenide cuinse2 nanocrystals
Journal of Physical Chemistry C, 2019Co-Authors: Daniel W Houck, Eli I Assaf, Haein Shin, Randalynn M Greene, Douglas R Pernik, Brian A KorgelAbstract:Copper indium diselenide (CuInSe2) is a prototype ternary compound and group I–III–VI semiconductor with useful optoelectronic properties. CuInSe2 nanocrystals have been of significant interest because of their size-tunable optical properties and lack of toxic heavy metals. Because of the particular vacancy and Antisite substitutional point Defects in CuInSe2, large stoichiometric deviations can be tolerated, sometimes leading to the so-called ordered vacancy compounds (OVCs). Here, we use Raman spectroscopy of oleylamine-capped CuInSe2 nanocrystals and ab initio lattice dynamics modeling to study the concentration and arrangements of (2vCu– + InCu2+) defect pairs in the nanocrystals. The nanocrystals have randomly distributed defect pairs that become mobile under light excitation and accumulate, as in OVCs, along the [100] direction. Because the high concentration of vacancies in CuInSe2 nanocrystals is compensated by InCu2+ Antisite Defects, these nanocrystals do not exhibit an optical plasmon resonance...
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Pervasive Cation Vacancies and Antisite Defects in Copper Indium Diselenide (CuInSe2) Nanocrystals
2019Co-Authors: Daniel W. Houck, Eli I Assaf, Haein Shin, Randalynn M Greene, Douglas R Pernik, Brian A KorgelAbstract:Copper indium diselenide (CuInSe2) is a prototype ternary compound and group I–III–VI semiconductor with useful optoelectronic properties. CuInSe2 nanocrystals have been of significant interest because of their size-tunable optical properties and lack of toxic heavy metals. Because of the particular vacancy and Antisite substitutional point Defects in CuInSe2, large stoichiometric deviations can be tolerated, sometimes leading to the so-called ordered vacancy compounds (OVCs). Here, we use Raman spectroscopy of oleylamine-capped CuInSe2 nanocrystals and ab initio lattice dynamics modeling to study the concentration and arrangements of (2vCu– + InCu2+) defect pairs in the nanocrystals. The nanocrystals have randomly distributed defect pairs that become mobile under light excitation and accumulate, as in OVCs, along the [100] direction. Because the high concentration of vacancies in CuInSe2 nanocrystals is compensated by InCu2+ Antisite Defects, these nanocrystals do not exhibit an optical plasmon resonance like many other copper chalcogenide nanocrystals. Annealing the nanocrystals at a high temperature (600 °C) was found to significantly reduce the defect concentration