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Similarity of optical properties of hydrides and semiconductors for antireflection coatings

Identifieur interne : 003941 ( Main/Repository ); précédent : 003940; suivant : 003942

Similarity of optical properties of hydrides and semiconductors for antireflection coatings

Auteurs : RBID : Pascal:10-0393456

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English descriptors

Abstract

The electronic structure and optical properties of the complex hydrides Ca2FeH6, Ca2RuH6, Mg2FeH6, Mg2RuH6, Sr2FeH6, Sr2RuH6 and Sr2OsH6 were studied using first-principles calculations. Optical spectra of the hydrides were compared with those of SiNx, In2O3 and ZnO determined from theoretical calculations and measured experimentally. Based on an analysis of band structure, it is found that the electrical conductivity of the hydrides is expected to be poor. However, optical properties of the hydrides in the energy range 0-3 eV are found to be almost the same as those of SiNx, In2O3, ZnO and TiO2. Hydrides are suggested to be used as antireflection layers and for passivation of surface and bulk defects. This finding could be useful for electronic device technology including solar cells.

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<title xml:lang="en" level="a">Similarity of optical properties of hydrides and semiconductors for antireflection coatings</title>
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<name sortKey="Karazhanov, S Zh" uniqKey="Karazhanov S">S. Zh. Karazhanov</name>
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<s1>Institute for Energy Technology, P.O. Box 40</s1>
<s2>2027 Kjeller</s2>
<s3>NOR</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
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<country>Norvège</country>
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<author>
<name sortKey="Ulyashin, A G" uniqKey="Ulyashin A">A. G. Ulyashin</name>
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<s1>Institute for Energy Technology, P.O. Box 40</s1>
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<sZ>2 aut.</sZ>
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<title level="j" type="abbreviated">Philos. mag. : (2003, Print)</title>
<title level="j" type="main">Philosophical magazine : (2003. Print)</title>
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<term>Antireflection coatings</term>
<term>Band structure</term>
<term>Density functional method</term>
<term>Electrical conductivity</term>
<term>Electronic properties</term>
<term>Electronic structure</term>
<term>Hydrides</term>
<term>Indium oxide</term>
<term>Optical coatings</term>
<term>Optical properties</term>
<term>Passivation</term>
<term>Semiconductor coating</term>
<term>Silicon nitride</term>
<term>Solar cells</term>
<term>Surface defect</term>
<term>Titanium oxide</term>
<term>Zinc oxide</term>
</keywords>
<keywords scheme="Pascal" xml:lang="fr">
<term>Propriété optique</term>
<term>Hydrure</term>
<term>Revêtement semiconducteur</term>
<term>Revêtement antiréfléchissant</term>
<term>Revêtement optique</term>
<term>Propriété électronique</term>
<term>Structure électronique</term>
<term>Méthode fonctionnelle densité</term>
<term>Structure bande</term>
<term>Conductivité électrique</term>
<term>Passivation</term>
<term>Défaut surface</term>
<term>Cellule solaire</term>
<term>Nitrure de silicium</term>
<term>Oxyde d'indium</term>
<term>Oxyde de zinc</term>
<term>Oxyde de titane</term>
<term>SiNx</term>
<term>In2O3</term>
<term>ZnO</term>
<term>TiO2</term>
<term>7820</term>
<term>7115M</term>
<term>8460J</term>
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<div type="abstract" xml:lang="en">The electronic structure and optical properties of the complex hydrides Ca
<sub>2</sub>
FeH
<sub>6</sub>
, Ca
<sub>2</sub>
RuH
<sub>6</sub>
, Mg
<sub>2</sub>
FeH
<sub>6</sub>
, Mg
<sub>2</sub>
RuH
<sub>6</sub>
, Sr
<sub>2</sub>
FeH
<sub>6</sub>
, Sr
<sub>2</sub>
RuH
<sub>6</sub>
and Sr
<sub>2</sub>
OsH
<sub>6</sub>
were studied using first-principles calculations. Optical spectra of the hydrides were compared with those of SiN
<sub>x</sub>
, In
<sub>2</sub>
O
<sub>3</sub>
and ZnO determined from theoretical calculations and measured experimentally. Based on an analysis of band structure, it is found that the electrical conductivity of the hydrides is expected to be poor. However, optical properties of the hydrides in the energy range 0-3 eV are found to be almost the same as those of SiN
<sub>x</sub>
, In
<sub>2</sub>
O
<sub>3</sub>
, ZnO and TiO
<sub>2</sub>
. Hydrides are suggested to be used as antireflection layers and for passivation of surface and bulk defects. This finding could be useful for electronic device technology including solar cells.</div>
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<s0>The electronic structure and optical properties of the complex hydrides Ca
<sub>2</sub>
FeH
<sub>6</sub>
, Ca
<sub>2</sub>
RuH
<sub>6</sub>
, Mg
<sub>2</sub>
FeH
<sub>6</sub>
, Mg
<sub>2</sub>
RuH
<sub>6</sub>
, Sr
<sub>2</sub>
FeH
<sub>6</sub>
, Sr
<sub>2</sub>
RuH
<sub>6</sub>
and Sr
<sub>2</sub>
OsH
<sub>6</sub>
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<sub>x</sub>
, In
<sub>2</sub>
O
<sub>3</sub>
and ZnO determined from theoretical calculations and measured experimentally. Based on an analysis of band structure, it is found that the electrical conductivity of the hydrides is expected to be poor. However, optical properties of the hydrides in the energy range 0-3 eV are found to be almost the same as those of SiN
<sub>x</sub>
, In
<sub>2</sub>
O
<sub>3</sub>
, ZnO and TiO
<sub>2</sub>
. Hydrides are suggested to be used as antireflection layers and for passivation of surface and bulk defects. This finding could be useful for electronic device technology including solar cells.</s0>
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<s5>07</s5>
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<s5>07</s5>
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<s5>08</s5>
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<s5>08</s5>
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<s5>09</s5>
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<s0>Band structure</s0>
<s5>09</s5>
</fC03>
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<s0>Conductivité électrique</s0>
<s5>10</s5>
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<s0>Electrical conductivity</s0>
<s5>10</s5>
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<s0>Passivation</s0>
<s5>11</s5>
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<s5>11</s5>
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<s5>12</s5>
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<s0>Surface defect</s0>
<s5>12</s5>
</fC03>
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<s0>Defecto superficie</s0>
<s5>12</s5>
</fC03>
<fC03 i1="13" i2="3" l="FRE">
<s0>Cellule solaire</s0>
<s5>13</s5>
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<s0>Solar cells</s0>
<s5>13</s5>
</fC03>
<fC03 i1="14" i2="X" l="FRE">
<s0>Nitrure de silicium</s0>
<s5>15</s5>
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<s0>Silicon nitride</s0>
<s5>15</s5>
</fC03>
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<s0>Silicio nitruro</s0>
<s5>15</s5>
</fC03>
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<s0>Oxyde d'indium</s0>
<s5>16</s5>
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<s0>Indium oxide</s0>
<s5>16</s5>
</fC03>
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<s0>Indio óxido</s0>
<s5>16</s5>
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<s5>17</s5>
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<s5>17</s5>
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<s5>18</s5>
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<s5>18</s5>
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<s0>SiNx</s0>
<s4>INC</s4>
<s5>46</s5>
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<s4>INC</s4>
<s5>47</s5>
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<s0>ZnO</s0>
<s4>INC</s4>
<s5>48</s5>
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<fC03 i1="21" i2="3" l="FRE">
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<s4>INC</s4>
<s5>49</s5>
</fC03>
<fC03 i1="22" i2="3" l="FRE">
<s0>7820</s0>
<s4>INC</s4>
<s5>71</s5>
</fC03>
<fC03 i1="23" i2="3" l="FRE">
<s0>7115M</s0>
<s4>INC</s4>
<s5>72</s5>
</fC03>
<fC03 i1="24" i2="3" l="FRE">
<s0>8460J</s0>
<s4>INC</s4>
<s5>73</s5>
</fC03>
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</fN21>
<fN44 i1="01">
<s1>OTO</s1>
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