Prediction of new stable crystal structures for ternary ErAgTe2

Exploring the impact of van der Waals-corrected exchange-correlation functional on the physical properties of layered GeSe compound - ScienceDirect

Calculated defect formation enthalpies D H d,q in trigonal Tm oh Ag oh

Crystal structure prediction at finite temperatures

colour online) The crystal structure view of TiAsTe.

Haci OZISIK, Professor, PhD, Aksaray Üniversitesi, Aksaray, Physics

Engin DELIGOZ, Professor, Ph. D., Aksaray Üniversitesi, Aksaray

Three dimensional (3D) directional dependences of (a) Young modulus

COPEX: co-evolutionary crystal structure prediction algorithm for complex systems

colour online) The directional (3-D) dependence of the (a)

Structure prediction drives materials discovery

Exploring the impact of van der Waals-corrected exchange-correlation functional on the physical properties of layered GeSe compound - ScienceDirect

Electronic band structure for (a) In 2 Ge 2 Te 6 , (b) InGeTe 3 , (c)

Discovery of hexagonal ternary phase Ti2InB2 and its evolution to layered boride TiB

Predicting Band Gaps with Hybrid Density Functionals