Browsing Makale Koleksiyonu by Author "Duman, S; Bagci, S; Tutuncu, HM; Srivastava, GP;"

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First-principles studies of ground-state and dynamical properties of MgS, MgSe, and MgTe in the rocksalt, zinc blende, wurtzite, and nickel arsenide phases

Duman, Sıtkı; Bağcı, Sadık; Tütüncü, Hüseyin Murat (AMERICAN PHYSICAL SOC, 2006)

An ab initio pseudopotential method is used to investigate the structural and electronic properties of MgS, MgSe, and MgTe in the rocksalt, zinc blende, wurtzite, and nickel arsenide phases. It is found that rocksalt is ...
Ground-state properties of arsenic deposited on the Ge(001)(2 x 1) surface

Duman, Sıtkı; Bağcı, Sadık; Tütüncü, Hüseyin Murat (ELSEVIER SCIENCE BV, 2006)

We present results of ab initio calculations of structural, electronic and vibrational properties of the Ge(001) surface covered with a monolayer of arsenic. The fully occupied pi(u) bonding and pi(g) antibonding electronic ...