Browsing Fizik / Physics by Author "Bagci, S; Tutuncu, HM; Srivastava, GP;"

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Ab initio calculations of structural, electronic and dynamical properties of BeSe(110) surface

Bağcı, Sadık; Tütüncü, Hüseyin Murat (ELSEVIER SCIENCE BV, 2007)

We use an ab initio pseudopotential method within the local-density approximation to determine the structural and electronic properties of the BeSe(1 1 0) surface. The relaxed geometry of this surface shows tilted cation-anion ...