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Calculation of band offset in chalcopyrite system

Identifieur interne : 00BA80 ( Main/Repository ); précédent : 00BA79; suivant : 00BA81

Calculation of band offset in chalcopyrite system

Auteurs : RBID : Pascal:04-0484207

Descripteurs français

Pascal (Inist)
- Discontinuité bande, Approximation liaison forte, Bande valence, Hybridation, Longueur liaison, Structure électronique, Structure bande, Semiconducteur, Hétérostructure, Chalcopyrite, Cuivre séléniure, Indium séléniure, Gallium séléniure, Composé ternaire, Etude expérimentale, CuInSe2, Cu In Se, CuGaSe2, 7321A, Cu Ga Se.

English descriptors

KwdEn :
- Band offset, Band structure, Bond lengths, Chalcopyrite, Copper selenides, Electronic structure, Experimental study, Gallium selenides, Heterostructures, Hybridization, Indium selenides, Semiconductor materials, Ternary compounds, Tight binding approximation, Valence bands.

Abstract

A recently reformulated tight binding method is used to calculate valence band offset (VBO) at the CuInSe₂/CuGaSe₂ heterojunction. The hybrid energy is calculated in the s²p² configuration and a new model for the average hybrid energy is used. The theoretical VBO value of 0.05 eV is in good agreement with recent experimental value of 0.04 eV. The value of conduction band offset is 0.60 eV giving a type I alignment. The VBO varies linearly with bond length difference (l), as VBO = (0.24)l.

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Pascal:04-0484207

Le document en format XML

<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en" level="a">Calculation of band offset in chalcopyrite system</title>
<author><name sortKey="Ekpunobi, A J" uniqKey="Ekpunobi A">A. J. Ekpunobi</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Physics and Industrial Physics, Nnamdi Azikiwe University, P.M.B. 5025</s1>
<s2>Awka, Anambra State</s2>
<s3>NGA</s3>
<sZ>1 aut.</sZ>
</inist:fA14>
<country>Nigeria</country>
<wicri:noRegion>Awka, Anambra State</wicri:noRegion>
</affiliation>
</author>
</titleStmt>
<publicationStmt><idno type="inist">04-0484207</idno>
<date when="2004">2004</date>
<idno type="stanalyst">PASCAL 04-0484207 INIST</idno>
<idno type="RBID">Pascal:04-0484207</idno>
<idno type="wicri:Area/Main/Corpus">00AF13</idno>
<idno type="wicri:Area/Main/Repository">00BA80</idno>
</publicationStmt>
<seriesStmt><idno type="ISSN">0038-1098</idno>
<title level="j" type="abbreviated">Solid state commun.</title>
<title level="j" type="main">Solid state communications</title>
</seriesStmt>
</fileDesc>
<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Band offset</term>
<term>Band structure</term>
<term>Bond lengths</term>
<term>Chalcopyrite</term>
<term>Copper selenides</term>
<term>Electronic structure</term>
<term>Experimental study</term>
<term>Gallium selenides</term>
<term>Heterostructures</term>
<term>Hybridization</term>
<term>Indium selenides</term>
<term>Semiconductor materials</term>
<term>Ternary compounds</term>
<term>Tight binding approximation</term>
<term>Valence bands</term>
</keywords>
<keywords scheme="Pascal" xml:lang="fr"><term>Discontinuité bande</term>
<term>Approximation liaison forte</term>
<term>Bande valence</term>
<term>Hybridation</term>
<term>Longueur liaison</term>
<term>Structure électronique</term>
<term>Structure bande</term>
<term>Semiconducteur</term>
<term>Hétérostructure</term>
<term>Chalcopyrite</term>
<term>Cuivre séléniure</term>
<term>Indium séléniure</term>
<term>Gallium séléniure</term>
<term>Composé ternaire</term>
<term>Etude expérimentale</term>
<term>CuInSe2</term>
<term>Cu In Se</term>
<term>CuGaSe2</term>
<term>7321A</term>
<term>Cu Ga Se</term>
</keywords>
</textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">A recently reformulated tight binding method is used to calculate valence band offset (VBO) at the CuInSe<sub>2</sub>
/CuGaSe<sub>2</sub>
 heterojunction. The hybrid energy is calculated in the s<sup>2</sup>
p<sup>2</sup>
 configuration and a new model for the average hybrid energy is used. The theoretical VBO value of 0.05 eV is in good agreement with recent experimental value of 0.04 eV. The value of conduction band offset is 0.60 eV giving a type I alignment. The VBO varies linearly with bond length difference (l), as VBO = (0.24)l.</div>
</front>
</TEI>
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<fA08 i1="01" i2="1" l="ENG"><s1>Calculation of band offset in chalcopyrite system</s1>
</fA08>
<fA11 i1="01" i2="1"><s1>EKPUNOBI (A. J.)</s1>
</fA11>
<fA14 i1="01"><s1>Department of Physics and Industrial Physics, Nnamdi Azikiwe University, P.M.B. 5025</s1>
<s2>Awka, Anambra State</s2>
<s3>NGA</s3>
<sZ>1 aut.</sZ>
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<fA20><s1>725-727</s1>
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<fA45><s0>13 ref.</s0>
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<fA47 i1="01" i2="1"><s0>04-0484207</s0>
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<fA66 i1="01"><s0>GBR</s0>
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<fC01 i1="01" l="ENG"><s0>A recently reformulated tight binding method is used to calculate valence band offset (VBO) at the CuInSe<sub>2</sub>
/CuGaSe<sub>2</sub>
 heterojunction. The hybrid energy is calculated in the s<sup>2</sup>
p<sup>2</sup>
 configuration and a new model for the average hybrid energy is used. The theoretical VBO value of 0.05 eV is in good agreement with recent experimental value of 0.04 eV. The value of conduction band offset is 0.60 eV giving a type I alignment. The VBO varies linearly with bond length difference (l), as VBO = (0.24)l.</s0>
</fC01>
<fC02 i1="01" i2="3"><s0>001B70C21A</s0>
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<fC03 i1="01" i2="X" l="FRE"><s0>Discontinuité bande</s0>
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<fC03 i1="01" i2="X" l="ENG"><s0>Band offset</s0>
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<fC03 i1="01" i2="X" l="SPA"><s0>Discontinuidad banda</s0>
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<s5>03</s5>
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<fC03 i1="03" i2="3" l="FRE"><s0>Bande valence</s0>
<s5>04</s5>
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<fC03 i1="03" i2="3" l="ENG"><s0>Valence bands</s0>
<s5>04</s5>
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<s5>05</s5>
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<s5>05</s5>
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<s5>06</s5>
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<fC03 i1="05" i2="3" l="ENG"><s0>Bond lengths</s0>
<s5>06</s5>
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<fC03 i1="06" i2="3" l="FRE"><s0>Structure électronique</s0>
<s5>07</s5>
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<fC03 i1="06" i2="3" l="ENG"><s0>Electronic structure</s0>
<s5>07</s5>
</fC03>
<fC03 i1="07" i2="3" l="FRE"><s0>Structure bande</s0>
<s5>08</s5>
</fC03>
<fC03 i1="07" i2="3" l="ENG"><s0>Band structure</s0>
<s5>08</s5>
</fC03>
<fC03 i1="08" i2="3" l="FRE"><s0>Semiconducteur</s0>
<s5>13</s5>
</fC03>
<fC03 i1="08" i2="3" l="ENG"><s0>Semiconductor materials</s0>
<s5>13</s5>
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<fC03 i1="09" i2="3" l="FRE"><s0>Hétérostructure</s0>
<s5>14</s5>
</fC03>
<fC03 i1="09" i2="3" l="ENG"><s0>Heterostructures</s0>
<s5>14</s5>
</fC03>
<fC03 i1="10" i2="3" l="FRE"><s0>Chalcopyrite</s0>
<s5>15</s5>
</fC03>
<fC03 i1="10" i2="3" l="ENG"><s0>Chalcopyrite</s0>
<s5>15</s5>
</fC03>
<fC03 i1="11" i2="3" l="FRE"><s0>Cuivre séléniure</s0>
<s2>NK</s2>
<s5>16</s5>
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<fC03 i1="11" i2="3" l="ENG"><s0>Copper selenides</s0>
<s2>NK</s2>
<s5>16</s5>
</fC03>
<fC03 i1="12" i2="3" l="FRE"><s0>Indium séléniure</s0>
<s2>NK</s2>
<s5>17</s5>
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<fC03 i1="12" i2="3" l="ENG"><s0>Indium selenides</s0>
<s2>NK</s2>
<s5>17</s5>
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<fC03 i1="13" i2="3" l="FRE"><s0>Gallium séléniure</s0>
<s2>NK</s2>
<s5>18</s5>
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<fC03 i1="13" i2="3" l="ENG"><s0>Gallium selenides</s0>
<s2>NK</s2>
<s5>18</s5>
</fC03>
<fC03 i1="14" i2="3" l="FRE"><s0>Composé ternaire</s0>
<s5>19</s5>
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<fC03 i1="14" i2="3" l="ENG"><s0>Ternary compounds</s0>
<s5>19</s5>
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<s5>20</s5>
</fC03>
<fC03 i1="15" i2="3" l="ENG"><s0>Experimental study</s0>
<s5>20</s5>
</fC03>
<fC03 i1="16" i2="3" l="FRE"><s0>CuInSe2</s0>
<s4>INC</s4>
<s5>53</s5>
</fC03>
<fC03 i1="17" i2="3" l="FRE"><s0>Cu In Se</s0>
<s4>INC</s4>
<s5>54</s5>
</fC03>
<fC03 i1="18" i2="3" l="FRE"><s0>CuGaSe2</s0>
<s4>INC</s4>
<s5>55</s5>
</fC03>
<fC03 i1="19" i2="3" l="FRE"><s0>7321A</s0>
<s2>PAC</s2>
<s4>INC</s4>
<s5>56</s5>
</fC03>
<fC03 i1="20" i2="3" l="FRE"><s0>Cu Ga Se</s0>
<s4>INC</s4>
<s5>92</s5>
</fC03>
<fC07 i1="01" i2="3" l="FRE"><s0>Métal transition composé</s0>
<s5>48</s5>
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<s5>48</s5>
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<fC07 i1="02" i2="3" l="FRE"><s0>Composé minéral</s0>
<s5>49</s5>
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Calculation of band offset in chalcopyrite system

Calculation of band offset in chalcopyrite system

Descripteurs français

English descriptors

Abstract

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