Bükülmüş Grafenin Elektronik Özellikleri

Year 2016, Volume: 11 Issue: 2, 102 - 108, 02.12.2016

Hasan Yıldırım Seyfettin Çakmak

Abstract

Bu
çalışmada WIEN2k bilgisayar programı kullanılarak ideal ve bükülmüş grafenin
elektron yoğunluğu, durum yoğunluğu ve band yapısı elde edilmiştir. Burada ideal
ve bükülmüş grafenin 2x2x1, 2x3x1 ve 3x2x1 boyutları çalışılmıştır.
Her bir nanoşerit için 100, 200, 300 ve 500 k noktası kullanılmıştır. Elektronik durum yoğunluğu ve band
yapıları, kristalin yarıiletken özellik sergilediğini göstermektedir.
Yarıiletken özellik gösteren ideal ve ideal olmayan kristallerin yasak band
aralığı, ideale göre ideal olmayan (bükülmüş) kristalde daha büyüktür. İdeal
grafende gözlenen sıfıra çok yakın yasak band aralığı malzemenin metal
özelliğine yatkınlığını ortaya koymaktadır. Ancak, genel anlamda, yarıiletken
özelliğinin dikkat çektiğini gördüğümüz bükülmüş grafenin yasak band aralığı
yaklaşık 0.7-1.9 eV aralığında değer almıştır.

Keywords

Bükülmüş grafen, WIEN2k, elektronik özellikler

Electronic Properties of Buckled Graphene

Abstract

In this study,
the electron density, state density and band structure of the ideal and buckled
graphenes have been obtained via WIEN2k software. This study involves 2x2x1,
2x3x1 and 3x2x1 dimensions of ideal and buckled graphenes. For each nanoribbon
100, 200, 300 and 500 k points have been used. Electronic state density and band
structures demonstrate the fact that the crystal displays semiconductive properties.
The forbidden band gap of ideal and non-ideal crystals displaying semiconductive
behaviors is bigger in non-ideal (buckled) crystal than the ideal one. The forbidden
band gap observed in ideal grapheme which is quite close to zero value proves
the tendency of the material towards the metal properties. However, in general
terms the forbidden band gap of buckled graphene which is distinctive with its semiconductive
behavior is approximately between 0.7 and 1.9 eV.

Keywords

Buckled graphene, WIEN2k, electronical properties

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