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Cited article:

Structures and adhesion of hcp thin film coating interfaces on a single-crystal bcc substrate by PVD: Ti/Mo and Zr/Mo

Wu Qin, Miao Chen, Yiren Wang and Yong Jiang
Computational Materials Science 174 109504 (2020)
https://doi.org/10.1016/j.commatsci.2019.109504

Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations

Roberto C. Longo, Kyeongjae Cho, Wolf Gero Schmidt, Yves J. Chabal and Peter Thissen
Advanced Functional Materials 23 (27) 3471 (2013)
https://doi.org/10.1002/adfm.201202808

Si2H6 Dissociative Chemisorption and Dissociation on Si(100)-(2×1) and Ge(100)-(2×1)

Jean-Francois Veyan, Heesung Choi, Min Huang, et al.
The Journal of Physical Chemistry C 115 (50) 24534 (2011)
https://doi.org/10.1021/jp207086u

Theoretical study of the cohesive and structural properties of Mo and W in bcc, fcc, and hcp structures

C. T. Chan, David Vanderbilt, Steven G. Louie and James R. Chelikowsky
Physical Review B 33 (12) 7941 (1986)
https://doi.org/10.1103/PhysRevB.33.7941

Linear augmented-plane-wave calculation of the structural properties of bulk Cr, Mo, and W

L. F. Mattheiss and D. R. Hamann
Physical Review B 33 (2) 823 (1986)
https://doi.org/10.1103/PhysRevB.33.823

Total-energy calculations for intermetallic compounds with a first-principles linear combination of atomic orbitals method

J. Hafner and W. Weber
Physical Review B 33 (2) 747 (1986)
https://doi.org/10.1103/PhysRevB.33.747

Vibrational frequencies via total-energy calculations. Applications to transition metals

K.-M. Ho, C. L. Fu and B. N. Harmon
Physical Review B 29 (4) 1575 (1984)
https://doi.org/10.1103/PhysRevB.29.1575

Microscopic analysis of interatomic forces in transition metals with lattice distortions

K. -M. Ho, C. -L. Fu and B. N. Harmon
Physical Review B 28 (12) 6687 (1983)
https://doi.org/10.1103/PhysRevB.28.6687

Vibrational Frequencies and Structural Properties of Transition Metals via Total-Energy Calculations

K. -M. Ho, C. L. Fu, B. N. Harmon, W. Weber and D. R. Hamann
Physical Review Letters 49 (9) 673 (1982)
https://doi.org/10.1103/PhysRevLett.49.673