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По вашему запросу найдено документов: 57327

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Formation energies of complexes of hydrogen and carbon atoms with vacancy in fcc aluminum from first-principles

Vo Duy Dat, Lipnitskii, A. G., Do Due Tam

The DFT calculations are performed to investigate the interactions of hydrogen and carbon atoms

Stability of rocksalt phase of zinc oxide under strong compression: Synchrotron x-ray diffraction experiments and first-principles calculation studies

Liu H., Mao H.-K., Tse J.S.

experiments and first-principles calculation studies

Magnetic behavior of Fe(Se,Te) systems: First-principles calculations

Shi H., Lin H.Q., Huang Z.B., Tse J.S.

Magnetic behavior of Fe(Se,Te) systems: First-principles calculations

Indentation strength of ultraincompressible rhenium boride, carbide, and nitride from first-principles calculations

Zang C., Sun H., Chen C., Tse J.S.

Indentation strength of ultraincompressible rhenium boride, carbide, and nitride from first-principles

First-principles calculations of the hyperfine fields on ligands in fluorides

Anikeenok O.

of the lattice from first principles. Use of the second-quantization method is proposed for such calculations

GaN HEMT Thermal Characteristics Evaluation Using an Integrated Approach Based on the Combined Use of First-Principles and Device Simulations

Baranаva, M. S., Hvazdouski, D. C., Volcheck, V. S., Stempitsky, V. R., Dinh, D., Tran Tuan, T., Баранова, М. С., Гвоздовский, Д. Ч., Волчек, В. С., Стемпицкий, В. Р.

. Calculation were using an proposed integrated approach based on the combined use of first-principles

First-principles study of anisotropic thermal conductivity of GaN, AlN, and Al0.5Ga0.5N

Hvazdouski, D. C., Baranava, M. S., Stempitsky, V. R.

nature. We proposed an approach for calculating the anisotropic thermal conductivity based on harmonic

First-principles calculations of the amplitudes of the electron transition from a ligand to the 5d shell of Yb3+: KZnF3

Anikeenok O.

of an electron from a ligand to the 5d shell of a rare-earth ion are calculated from first principles

First-principles calculation of electronic properties of monoelement 2D materials

Hvazdouski, D. C., Stempitsky, V. R.

In this work we did DFT calculations to investigation electronic properties of monoelemental 2D

First-principles calculations of the hyperfine fields on ligands in fluorides

Anikeenok O.

of the lattice from first principles. Use of the second-quantization method is proposed for such calculations

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