Theoretical Investigations of Color Centers in Alkali Azides

Theoretical investigations of color centers in alkali azides included point-ion calculations for F and F2(+) centers in NaN3, and an ab-initio molecular orbital calculation for N2(-) in NaN3. Calculated energy levels and spin-Hamiltonian parameters were compared with optical and ESR spectra. Support...

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1. Verfasser:	Bartram,Ralph H
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Sprache:	eng
Schlagworte:	ALKALI METAL COMPOUNDS Atomic and Molecular Physics and Spectroscopy AZIDES COLOR CENTERS Electron spin resonance ELECTRON TRANSITIONS HYPERFINE STRUCTURE Potassium azide POTASSIUM COMPOUNDS RADIATION EFFECTS Rubidium azide RUBIDIUM COMPOUNDS Sodium azide SODIUM COMPOUNDS ULTRAVIOLET RADIATION
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creator	Bartram,Ralph H
description	Theoretical investigations of color centers in alkali azides included point-ion calculations for F and F2(+) centers in NaN3, and an ab-initio molecular orbital calculation for N2(-) in NaN3. Calculated energy levels and spin-Hamiltonian parameters were compared with optical and ESR spectra. Supporting experiments correlated polarized optical and ESR spectra in NaN3, KN3, and RbN3 via isochronal annealing, and optical absorption bands were identified for both N2(-) and N4(-) defects. Non-local pseudopotential calcualtions for the F center in NaN3 are in progress.
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Calculated energy levels and spin-Hamiltonian parameters were compared with optical and ESR spectra. Supporting experiments correlated polarized optical and ESR spectra in NaN3, KN3, and RbN3 via isochronal annealing, and optical absorption bands were identified for both N2(-) and N4(-) defects. Non-local pseudopotential calcualtions for the F center in NaN3 are in progress.</description><language>eng</language><subject>ALKALI METAL COMPOUNDS ; Atomic and Molecular Physics and Spectroscopy ; AZIDES ; COLOR CENTERS ; Electron spin resonance ; ELECTRON TRANSITIONS ; HYPERFINE STRUCTURE ; Potassium azide ; POTASSIUM COMPOUNDS ; RADIATION EFFECTS ; Rubidium azide ; RUBIDIUM COMPOUNDS ; Sodium azide ; SODIUM COMPOUNDS ; ULTRAVIOLET RADIATION</subject><creationdate>1974</creationdate><rights>APPROVED FOR PUBLIC RELEASE</rights><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,776,881,27546,27547</link.rule.ids><linktorsrc>$$Uhttps://apps.dtic.mil/sti/citations/ADA004025$$EView_record_in_DTIC$$FView_record_in_$$GDTIC$$Hfree_for_read</linktorsrc></links><search><creatorcontrib>Bartram,Ralph H</creatorcontrib><creatorcontrib>CONNECTICUT UNIV STORRS DEPT OF PHYSICS</creatorcontrib><title>Theoretical Investigations of Color Centers in Alkali Azides</title><description>Theoretical investigations of color centers in alkali azides included point-ion calculations for F and F2(+) centers in NaN3, and an ab-initio molecular orbital calculation for N2(-) in NaN3. Calculated energy levels and spin-Hamiltonian parameters were compared with optical and ESR spectra. Supporting experiments correlated polarized optical and ESR spectra in NaN3, KN3, and RbN3 via isochronal annealing, and optical absorption bands were identified for both N2(-) and N4(-) defects. Non-local pseudopotential calcualtions for the F center in NaN3 are in progress.</description><subject>ALKALI METAL COMPOUNDS</subject><subject>Atomic and Molecular Physics and Spectroscopy</subject><subject>AZIDES</subject><subject>COLOR CENTERS</subject><subject>Electron spin resonance</subject><subject>ELECTRON TRANSITIONS</subject><subject>HYPERFINE STRUCTURE</subject><subject>Potassium azide</subject><subject>POTASSIUM COMPOUNDS</subject><subject>RADIATION EFFECTS</subject><subject>Rubidium azide</subject><subject>RUBIDIUM COMPOUNDS</subject><subject>Sodium azide</subject><subject>SODIUM COMPOUNDS</subject><subject>ULTRAVIOLET RADIATION</subject><fulltext>true</fulltext><rsrctype>report</rsrctype><creationdate>1974</creationdate><recordtype>report</recordtype><sourceid>1RU</sourceid><recordid>eNrjZLAJyUjNL0otyUxOzFHwzCtLLS7JTE8syczPK1bIT1Nwzs_JL1JwTs0rSS0qVsjMU3DMyU7MyVRwrMpMSS3mYWBNS8wpTuWF0twMMm6uIc4euilA8-KBJuWllsQ7ujgaGJgYGJkaE5AGAPm4LI0</recordid><startdate>19741129</startdate><enddate>19741129</enddate><creator>Bartram,Ralph H</creator><scope>1RU</scope><scope>BHM</scope></search><sort><creationdate>19741129</creationdate><title>Theoretical Investigations of Color Centers in Alkali Azides</title><author>Bartram,Ralph H</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-dtic_stinet_ADA0040253</frbrgroupid><rsrctype>reports</rsrctype><prefilter>reports</prefilter><language>eng</language><creationdate>1974</creationdate><topic>ALKALI METAL COMPOUNDS</topic><topic>Atomic and Molecular Physics and Spectroscopy</topic><topic>AZIDES</topic><topic>COLOR CENTERS</topic><topic>Electron spin resonance</topic><topic>ELECTRON TRANSITIONS</topic><topic>HYPERFINE STRUCTURE</topic><topic>Potassium azide</topic><topic>POTASSIUM COMPOUNDS</topic><topic>RADIATION EFFECTS</topic><topic>Rubidium azide</topic><topic>RUBIDIUM COMPOUNDS</topic><topic>Sodium azide</topic><topic>SODIUM COMPOUNDS</topic><topic>ULTRAVIOLET RADIATION</topic><toplevel>online_resources</toplevel><creatorcontrib>Bartram,Ralph H</creatorcontrib><creatorcontrib>CONNECTICUT UNIV STORRS DEPT OF PHYSICS</creatorcontrib><collection>DTIC Technical Reports</collection><collection>DTIC STINET</collection></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext_linktorsrc</fulltext></delivery><addata><au>Bartram,Ralph H</au><aucorp>CONNECTICUT UNIV STORRS DEPT OF PHYSICS</aucorp><format>book</format><genre>unknown</genre><ristype>RPRT</ristype><btitle>Theoretical Investigations of Color Centers in Alkali Azides</btitle><date>1974-11-29</date><risdate>1974</risdate><abstract>Theoretical investigations of color centers in alkali azides included point-ion calculations for F and F2(+) centers in NaN3, and an ab-initio molecular orbital calculation for N2(-) in NaN3. Calculated energy levels and spin-Hamiltonian parameters were compared with optical and ESR spectra. Supporting experiments correlated polarized optical and ESR spectra in NaN3, KN3, and RbN3 via isochronal annealing, and optical absorption bands were identified for both N2(-) and N4(-) defects. Non-local pseudopotential calcualtions for the F center in NaN3 are in progress.</abstract><oa>free_for_read</oa></addata></record>
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subjects	ALKALI METAL COMPOUNDS Atomic and Molecular Physics and Spectroscopy AZIDES COLOR CENTERS Electron spin resonance ELECTRON TRANSITIONS HYPERFINE STRUCTURE Potassium azide POTASSIUM COMPOUNDS RADIATION EFFECTS Rubidium azide RUBIDIUM COMPOUNDS Sodium azide SODIUM COMPOUNDS ULTRAVIOLET RADIATION
title	Theoretical Investigations of Color Centers in Alkali Azides
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