Effect of Hydrogen on the Electronic Structure and Properties of Boron Nitrides

Kul'kova, S.E.; Chudinov, D.V.; Khanin, D.V.
January 2004
Semiconductors;Jan2004, Vol. 38 Issue 1, p61
Academic Journal
The electronic structure of three polymorphic modifications of boron nitride is calculated using the full-potential linear augmented plane wave method with exchange-correlation potential within the framework of the local density and generalized gradient approximation. The calculated values of the bulk modulus obtained from the three equations of state are in reasonable agreement with experimental data. The effect of hydrogen on the electronic structure and physicochemical properties of hexagonal and cubic boron nitride is studied. � 2004 MAIK �Nauka / Interperiodica�.


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