Structure and Bonding in Cubic IV-VI Crystals VII. On the Influence of Defects on the Stability of the Cubic Structure

作者: P. Enders

DOI: 10.1002/PSSB.2221300214

关键词: Phase transitionIonic bondingDiatomic moleculeChemistryElectronic charge densityCondensed matter physicsElectronic, Optical and Magnetic Materials

摘要: The influence of defects (vacancies) on the phase transition is qualitatively treated within framework simple one-dimensional models. Generalizing Gomez-Santos' and Yndurain's treatment to a diatomic chain, their stabilizing cubic role can be explained as destroying coherence electronic charge density wave driving Peierls instability. degree necessary suppress quite small due extrinsic gap (ionic energy). Der Einflus von Defekten (Vakanzen) auf den Phasenubergang wird im Rahmen einfacher ein-dimensionaler Modelle behandelt. In Verallgemeinerung Gomes-Santos' und Yndurains Rechnung eine zweiatomare Kette kann ihre die kubische Phase stabilisierende Rolle als Zerstorung der Koharenz Peierls-Instabilitat treibenden elektronischen Ladungsdichte-welle erklart werden. Der fur Unterdruckung des Phasenuberganges notwendige Grad Koharenzzerstorung ziemlich klein sein dank extrinsischen Peierls-Gaps (der ionischen Energie).

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