ANALISA EFEK JAHN TELLER TERHADAP STRUKTUR KRISTAL SENYAWA DELAFOSSITE AGCR1-XNIXO2 (0,01 ≤ X ≤ 0,04)
DOI:
10.29303/ipr.v2i2.22Downloads
Abstract
Telah dilakukan visualisasi struktur kristal senyawa delafossite AgCrO2 yang didoping doping ion Ni2+ menggunakan software Crystal MakerX 10.4. Input Data dengan Grup Ruang Nomor 166 dan Tabel Wick Offnya diperoleh dari American Mineralogist Crystal Structure Database (AMCSD). Berdasarkan hasil visualisasi tampak bahwa terjadi peningkatan nilai parameter kisi pada arah sumbu z (parameter kisi c) dan volume sel kristal. Fenomena ini dapat dijelaskan menggunakan efek Jahn – Teller. Jika kita meninjau menurut konfigurasi energinya, ion Cr3+ memiliki konfigurasi (t2g)3(eg)0 yang mana orbital t2g , 3 elektron 3d yang boleh mengisi orbital dxy sedangkan ion Ni2+ memiliki konfigurasi (t2g)6(eg)2 yang mana orbital eg boleh diisi oleh 2 elektron 3d yang menempati dz2.. Misalkan ion Cr3+ yang digantikan terletak pada orbita dxy digantikan oleh ion Ni2+ yang memiliki orbital dz2 sehingga 6 atom oksigen pada bagian oktahedral CrO6 akan bergerak menjauhi ion Cr3+ sehingga 2 atom oksigen pada dumbell Ag - O sepanjang sumbu z juga akan ikut berpindah. Akibatnya terjadi distorsi secara spontan sepanjang sumbu x, y, dan z menyebabkan terjadinya peningkatan parameter kisi. Adanya distorsi ini mengakibatkan hilangnya degenerasi sehingga senyawa lebih stabil.
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