EFEK DOPING ATOM ARSENIK PADA PITA ENERGI MATERIAL SILICENE BERDASARKAN PERHITUNGAN TEORI KERAPATAN FUNGSIONAL
DOI:
https://doi.org/10.17146/jsmi.2015.16.4.4221Keywords:
Silicene, Arsenik, Teori Kerapatan FungsionalAbstract
Menyusul sukses graphene dengan sifat-sifatnya yang super dan unik, material dua dimensi yang strukturnya serupa dengan graphene menjadi pusat perhatian para peneliti material. Silicene sebagai material yang memiliki struktur kristal sama dengan graphene namun terdiri dari atom-atom silicon menjadi material yang sangat penting mengingat dominasi silicon sebagai bahan utama komponen elekronika. Struktur pita dari silicene murni dan yang di doping dengan atom As diteliti dengan metode teori kerapatan fungsional (Density Functional Theory). Atom As disimulasikan pada beberapa posisi yang paling mungkin. Berdasarkan perhitungan energi pembentukan, posisi substitusi adalah posisi yang paling stabil dari atomAs pada silicene. Posisi atom As tepat di atas atom silkon jauh lebih stabil dari posisi di atas hexagonal (posisi hollow). Hasil perhitungan struktur pita menunjukkan bahwa silicene murni adalah semimetal sedangkan setelah di-doping dengan atom As berubah menjadi konduktor. Hasil ini berbeda dengan penambahan atom As pada graphene, di mana justru membuka band gap nya
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