Kai-Ming Ho


Distinguished Professor - Iowa State University
Senior Physicist - Ames Laboratory - USDOE

A502 Physics
Iowa State University
Ames, Iowa 50011

Phone: (515) 294-1960
Fax: (515) 294-0689
Email: kmh@ameslab.gov



PERSONAL HISTORY

B.Sc. 1972, B.Sc. (Sp) 1973, University of Hong Kong; Ph.D. 1978, University of California, Berkeley; Ames Laboratory, 1978-present, Iowa State University, 1982-present.

RESEARCH INTERESTS

Electronic structure of clean and adsorbate-covered solid surfaces in vacuum or in electrolytes. Precise first-principles total energy calculations for bulk and distorted crystals, crystal surfaces, impurities and point defects in crystals. Molecular dynamic simulations. Propagation of electromagnetic waves in periodic dielectric structures, photonic bands, and photonic band gaps.

Links to research highlights:

PHOTONIC CRYSTALS

Nanophotonics

tungsten photonic crystal

microtransfer molding

Atomistic simulation highlights(2002)

Atomistic simulation highlights (2000-2001)

Atomistic simulation highlights (1998)

Deformation Twinning in Ti and Zr

Melting line of aluminum from simulations of coexisting phases

Fastest Real Application award - Supercomputing 95

Ames Laboratory Genetic Algorithm

CASP5 Automatic Assessment

Links to popular articles and news releases:

Crystal turns heat to light

Photonic Crystals Trap IR Light

'96 Materials Sciences Awards

Genetic Algorithm

Inquiry 1999

Inquiry 2000

Energy 100 Award

Scientists Win Energy 100 Awards

PUBLICATIONS (1998-2002)

Atomistic simulations:

a. Clusters

K. M. Ho, A. A. Shvartsburg, B. C. Pan, Z. Y. Lu, C. Z. Wang, J. Wacker, J. L. Fye, and M. F. Jarrold, "Structures of medium-sized silicon clusters," Nature 392, 582 (1998).

A. A. Shvartsburg, M. F. Jarrold, B. Liu, Z. Y. Lu, C. Z. Wang, and K. M. Ho, "Dissociation energies of silicon clusters: a depth gauge for the global minima on the potential energy surface," Phys. Rev. Lett. 81, 4616 (1998).

B. Liu, A. A. Shvartsburg, Z. Y. Lu, B. C. Pan, C. Z. Wang, K. M. Ho, and M. F. Jarrold, "Ionization of medium-sized silicon clusters and the geometries of the cations," J. Chem. Phys. 21, 9401 (1998).

B.C. Pan, C.Z. Wang, K.M. Ho,  "Structures and properties of Si13 isomers," Chem. Phys. Lett. 292, 75 (1998).

K. Jackson, M. Pederson, C. Z. Wang, and K. M. Ho, "Calculated polarizabilities of intermediate-size Si clusters,” Phys. Rev A 59, 3685 (1999).

A. A. Shvartsburg, B. Liu, Z. Y. Lu, C. Z. Wang, M. F. Jarrold, and K. M. Ho, "Structures of germanium clusters: Where the growth patters of silicon and germanium clusters diverge," Phys. Rev. Lett. 83, 2167 (1999).

A. A. Shvartsburg, B. Liu, M. F. Jarrold, and K. M. Ho, "Modeling ionic mobilities by scattering on electronic density isosurfaces:  Application to silicon cluster anions," J. Chem. Phys. 112, 4517 (2000)

Z. Y. Lu, C. Z. Wang, and K. M. Ho, “Structures and dynamical properties of Cn, Sin, Gen and Snn  clusters with n up to 13," Phys. Rev. B 61, 2329 (2000).

A A Shvartsburg, B. Liu, K. W. M. Siu, and K. M. Ho, "Evaluation of ionic mobilities by coupling the scattering on Atoms and on electron density" J. Phys. Chem A 104, 6152 (2000).

J. Mueller, B. Liu, A. A. Shvartsburg, S. Ogut, J. R. Chelikowsky, K. W. M. Siu, K. M. Ho, and G. Gantefor "Spectroscopic evidence for the tricapped trigonal prism structure of semiconductor clusters" Phys. Rev. Lett. 85, 1666 (2000).

B. J. Min, C. Z. Wang, and K. M. Ho, “Structures and bonding properties of small Mo clusters,” J. Korean Phys. Soc. 39, 741 (2001).

b. Surfaces

G. D. Lee, C. Z. Wang, Z. Y. Lu, and K. M. Ho, "Addimer diffusion between trough and dimer row on Si(100)," Phys. Rev. Lett. 81, 5872 (1998).

G. D. Lee, C. Z. Wang, Z. Y. Lu, and K. M. Ho, "Addimer diffusion along trough between dimer rows on Si(100)," Surf. Sci. Lett. 426, L427 (1999).

C. Z. Wang, J. Xiang, B. C. Pan, and K. M. Ho, "Adatom vacancies on the Si(111)-(7x7) surface," Surf. Sci. 436, L687 (1999).

G. D. Lee, C. Z. Wang, Z. Y. Lu, and K. M. Ho, "Addimer diffusion on the Si(100) surface," Surf. Rev. & Lett. 6, 1015 (1999).

C. Z. Wang and K. M. Ho, "Atomistic simulation of laser ablation of diamond and silicon (111) surface," Surf. Rev. & Lett. 6, 1025 (1999).

H. Haas, C. Z. Wang, K. M. Ho, M. Fahnle, and C. Elsasser, "Reconstruction of Mo(100) surface: A tight-binding study" Surf. Sci. Lett. 457, L397 (2000).

C. Z. Wang and K. M. Ho, M. Shirk, and P. Molian, "Laser-induced graphitization on diamond (111) surface" Phys. Rev. Lett. 85, 4092 (2000).

Z. Y. Lu, C. Z. Wang, and K. M. Ho, "Correlated piecewise diffusion of a Ge addimer on Si(001) surface" Phys. Rev. B 62, 8104 (2000).

M. Hupalo, B. J. Min, C. Z. Wang, K.-M. Ho, and M. C. Tringides, “Correlations between the scanning tunneling microscopy imaged configurations and the electronic structure on stepped Si(111)-(7x7) surfaces,” Phys. Rev. Lett. 84, 2877 (2000).

V. Yeh, L. Berbil-Bautista, C. Z. Wang, K.-M. Ho, and M. C. Tringides, “Role of the metal/semiconductor interface in quantum size effects:  Pb/Si(111),” Phys. Rev. Lett. 85, 5158 (2000).

J. Zi, B. J. Min, Z. Y. Lu, C. Z. Wang, and K.-M. Ho, “Dimer-flipping-assisted diffusion on a Si(001) surface,” Appl. Phys. Lett. 77, 4184 (2000).

Z. Y. Lu, F. Liu, C. Z. Wang, X. R. Qin, B. S. Swartzenruber, M. G. Lagally, and K.-M. Ho, “Unique rock-n-roll dynamics appearance of a Ge-Si addimer on Si(001),” Phys. Rev. Lett. 85, 5603 (2000).

Z. Y. Lu, C. Z. Wang, and K. M. Ho, “Mixed SiGe ad-dimer on Si(001): diffusion triggers intermixing,” Surf. Sci. 506, L282 (2002).

M. Hupalo, T. L. Chan, C. Z. Wang, K. M. Ho, and M. C. Tringides, “Atomic models, domain-wall arrangements, and electronic structure of the dense Pb/Si(111)-root3xroot3 phase,” Phys. Rev. B 66, 161410 (2002).

C. Z. Wang and K. M. Ho, "Femtosecond laser induced melting of silicon (111): A tight-binding molecular dynamics study," (submitted)

c. Materials

X. D. Wang, Y. Y. Ye, C. T. Chan, and K. M. Ho, "Calculated structural-dependent optical properties of alloys TiNi, TiPd, and TiPt,"  Phys. Rev. B 58, 2964 (1998).

J. R. Morris, Z. Y. Lu, D. Ring, J. B. Xiang, C. Z. Wang, K. M. Ho  and C.-L. Fu, "First-principles determination of the Sigma=13 {510} symmetric tilt boundary structure in silicon and germanium," Phys. Rev. B 58, 11241 (1998).

C. L. Fu, X. D. Wang, Y. Y. Ye, and K. M. Ho, "Phase stability, bonding mechanism, and elastic constants of Mo5Si3 by first-principles calculation," Intermetallics 7, 1 (1998).

R. Heid, K.-P. Bohnen, and K. M. Ho, "Ab initio phonon dynamics of rhodium from a generalized supercell approach," Phys. Rev. B 57, 7407 (1998).

G. Kopidakis, C. Z. Wang, C. M. Soukoulis, and K. M. Ho, "Hydrogen-induced structural changes in tetrahedral amorphous carbon," Phys. Rev. B 58, 14106 (1998).

H. Haas, C. Z. Wang, M. Fahnle, C. Elsasser, and K. M. Ho, "Temperature-dependent phonon frequency shift in bcc Mo," J. Phys. Condensed Matter 11, 5313 (1999).

J. R. Morris, K. M. Ho, K. Y. Chen, G. Rengarajan and M. H. Yoo,  "Large scale atomistic study of core structures and energetics of  <c+a> {11-22} dislocations in hcp metals," Modelling Simul. Mater. Sci. Eng. 8, 25 (2000).

J. J. Williams, Y. Y. Ye, M. J. Kramer, K.-M. Ho, L. Hong, C.L. Fu, S. K. Malik, “Theoretical calculations and experimental measurements of the structure of Ti5Si3 with interstitial additions,” Intermetallics 8, 937 (2000).

J. R. Morris and K. M. Ho, “Molecular dynamic simulation of a homogeneous bcc-hcp transition,” Phys. Rev. B 63, 224116 (2001).

M. H. Yoo, S. R. Agnew, J. R. Morris, and K. M. Ho, “Non-basal slip systems in h.c.p. metals and alloys: source mechanisms,” Mater. Sci. Eng A- Struct. . 319, 87 (2001).

M. H. Yoo, J. R. Morris, K. M. Ho, and S. R. Agnew, “Nonbasal deformation modes of HCP metals and alloys: role of dislocation source and mobility,” Metall. Mat. Trans. A 33, 813 (2002).

J. R. Morris, Z. Y. Lu, Y. Y. Ye, and K. M. Ho, “The anisotropic free energy of the solid-liquid phase boundary in Al,” Interface Sci. 10, 143 (2002).

d. General

H. Haas, C. Z. Wang, M. Faehnle, C. Elsaesser, and K. M. Ho, "Environment-dependent tight-binding model for molybdenum," Phys. Rev. B 57, 1461 (1998).

H. Haas, C. Z. Wang, M. Fahnle, C. Elsasser, and, K. M. Ho, "Environment-dependent tight-binding potential for molybdenum," MRS Symposium Proc. 491, 327 (1998).

C. Z. Wang, B. C. Pan, M. S. Tang, H. Haas, M. Sigalas, G. D. Lee,  and K. M. Ho, "Environment-dependent tight-binding model,"  MRS Symposium Proc.  491, 211 (1998).

C. Z. Wang and K. M. Ho, "Structural trends in amorphous carbon," MRS Symposium Proc. 498 (1998).

C. Z. Wang, B. C. Pan, and K. M. Ho, "Environment-dependent tight-binding potential for Si," J. Phys. Condensed Matter, 11, 2043 (1999).

 

Photonic Crystals:

S. Y. Lin, J. G. Fleming, D. L. Hetherington, B. K. Smith, R. Biswas,  K. M. Ho, M. M. Sigalas, W. Zubrzycki, S. R. Kurtz, and J. Bur, "A three-dimensional photonic crystal operating at infrared wavelengths," Nature 394, 251 (1998).

W. Y. Leung, G. Tuttle, M. M. Sigalas, R. Biswas, K. M. Ho, and  C. M. Soukoulis, "Optimizing the Q value in three-dimensional metallic photonic band gap crystals," J. App. Phys. 84, 4091 (1998).

R. Biswas, M. M. Sigalas, G. Subramania, and K. M. Ho, "Photonic band gaps in colloidal systems," Phys. Rev. B 57, 3701 (1998).

M. M. Sigalas, K. M. Ho, R. Biswas, and C. M. Soukoulis, "Theoretical investigation of defects in photonic crystals in the presence of dielectric losses," Phys. Rev. B 57, 3815 (1998).

B. Temelkuran, E. Ozbay, M. M. Sigalas, G. Tuttle, C. M. Soukoulis, and K. M. Ho, "Reflection properties of metallic photonic crystals," Appl. Phys. A 66, 363 (1998).

B. Temelkuran, E. Ozbay, J. P. Kavanaugh, G. Tuttle, and K. M. Ho, "Resonant cavity enhanced detectors embedded in photonic crystals," Appl. Phys. Lett. 72, 2376 (1998).

M. M. Sigalas, R. Biswas, K. M. Ho, C. M. Soukoulis, and D. D. Crouch, "Waveguides in photonic band gap materials," Proceedings 14th Annual Review of Progress in Applied Computational Electromagnetics,  p. 144 (1998).          

M. M. Sigalas, R. Biswas, K.-M. Ho, and C. M. Soukoulis, “Theoretical investigation of off-plane  propagation of electromagnetic waves in two-dimensional photonic crystals,” Phys. Rev. B 58, 6791 (1998).

M. M. Sigalas, R. Biswas, K. M. Ho, W. Leung, G. Tuttle, and D. D. Crouch, "The effect of photonic crystals on dipole antennas," Electromagnetics  19, No. 3, 291 (1999). (Special issue, invited paper).

G. Subramania, K. Constant, R. Biswas, M. M. Sigalas, and K.-M. Ho," Optical photonic crystals fabricated from colloidal systems," Appl. Phys. Lett. 74, 3933 (1999).

S. Lin, J. Fleming, M. M. Sigalas, R. Biswas, and K.-M. Ho, "Photonic band gap microcavity in three dimensions," Phys. Rev. B 59, 15579 (1999) Rapid Communications.

M. M. Sigalas, R. Biswas, K.-M. Ho, C. M. Soukoulis, and D. D. Crouch "Waveguides in Three-dimensional Metallic photonic band gap materials," Phys. Rev. B 60, 4426 (1999).

M. M. Sigalas, R. Biswas, K.-M. Ho, C. M. Soukoulis, D. Turner, B. Vasiliu, S. C. Kothari, and S. Lin "Waveguide bends in three-dimensional layer-by-layer photonic band gap materials," Microwave and Opt. Tech. Lett. 23, 57 (1999).

G. Subramania, K. Constant, R. Biswas, M. M. Sigalas, and K.-M. Ho, "Optical photonic crystals synthesized from colloidal systems of polystyrene spheres and nanocrystalline titania," J. of Lightwave Technology 17, 1970 (1999).

I. El-Kady, M. M. Sigalas, R. Biswas, and K.-M. Ho, "Dielectric waveguides in two-dimensional photonic bandgap materials," J. of Lightwave Technology 17, 2042 (1999).

M. M. Sigalas, C. M. Soukoulis, C. T. Chan, R. Biswas, and K. M. Ho, "Effect of disorder on photonic band gaps," Phys. Rev. B 59, 12767 (1999)

B. Temelkuran, M. Bayindir, E. Ozbay, R. Biswas, G. Tuttle, M. M. Sigalas, and K.-M. Ho, "Photonic crystal based resonant antenna with a very high directivity," J. Appl. Phys. 87, 603 (2000).

R. Biswas, M. M. Sigalas, G. Subramania, C. M. Soukoulis, and K.-M. Ho, "Photonic band gaps of porous solids," Phys. Rev. B 61, 4549 (2000).

I. El-Kady, M. M. Sigalas, R. Biswas, K. M. Ho, and C. M. Soukoulis, “Metallic photonic crystals at optical wavelengths,” Phys. Rev. B 62, 15299 (2000).

G. Subramania, K. Constant, R. Biswas, M. M. Sigalas, K.-M. Ho, “Synthesis of thin film photonic crystals,” Synthetic Metals 116, 443 (2001).

S. Y. Lin, J. G. Fleming, R. Liu, M. M. Sigalas, R. Biswas, and K. M. Ho, “Complete three-dimensional photonic bandgap in a simle cubic structure,” J. Opt. Soc. Am. B 18, 32 (2001).

M. Bayindir, E. Ozbay, B. Temelkuran, M. M. Sigalas, C. M. Soukoulis, R. Biswas, and K. M. Ho, “Guiding, bending, and splitting of electromagnetic waves in highly confined photonic crystal waveguides,” Phys. Rev. B 63, 081107 (2001) (rapid communication)

G. Subramania, K. Constant, R. Biswas, M. M. Sigalas, and K. M. Ho, “Inverse face-centered cubic thin film photonic crystals,” Advanced Materials 13, 443 (2001).

G. Subramania, R. Biswas, K. Constant, M. M. Sigalas, and K. M. Ho, “Structural characterization of thin film photonic crystals,” Physical Review B 63, 235111 (2001).

R. Biswas, E. Ozbay, B. Temelkuran, M. Bayindir, M. M. Sigalas, and K. M. Ho, “Exceptionally directional sources with photonic-bandgap crystals,” J. Opt. Soc. B 18, 1684 (2001).

J. G. Fleming, S. Y. Lin, I. El-Kady, R. Biswas, K. M. Ho, “All-metallic three-dimensional photonic crystals with a large infrared bandgap,” Nature 417, 52 (2002).

SELECTED OLDER PUBLICATIONS

Surfaces:

C.T. Chan, K.-M. Ho, K.P. Bohnen Surface reconstruction: Metal surfaces and metal on semiconductor surfaces, Handbook of Surface Science Vol 1, ed. W.N. Enertl, p. 101, Elsevier (1996)

M. Yamamoto, C. T. Chan, K.-M. Ho, M. Kurahashi, S. Naito First-principles calculation of the longitudinal phonon in the surface-normal direction of a zirconium (0001) slab: Localization mode at the subsurface Phys. Rev. B: Condensed Matter 53(20), 13772 (1996).

Tight-binding molecular dynamics:

C.Z. Wang, K.-M. Ho Tight-binding molecular dynamics studies of covalent systems, Advances in Chem. Phys. Vol. XCIII, eds. L. Prigogine and S.A. Rice, p. 651, Wiley (1996)

M. S. Tang, C.-Z. Wang, C. T. Chan, K.-M. Ho Environment-dependent tight-binding potential model Phys. Rev. B: Condensed Matter 53(3), 979 (1996).

Genetic algorithm:

J. R. Morris, D. M. Deaven, K.-M. Ho Genetic-algorithm energy minimization for point charges on a sphere, Phys. Rev. B: Condensed Matter 53(4), R1740 (1996).

Photonic Crystals:

E. Ozbay, B. Temelkuran, M. Sigalas, G. Tuttle, C. M. Soukoulis, K. M. Ho Defect structures in metallic photonic crystals, Appl. Phys. Lett.. 69(25), 3797 (1996).

M. M. Sigalas, J. S. McCalmont, K.-M. Ho, G. Tuttle Theoretical and experimental study of silicon-based angular filters, Appl. Phys. Lett. 68(25), 3527 (1996).

Qiming Li, C. T. Chan, K.-M. Ho, C. M. Soukoulis Wave propagation in nonlinear photonic band-gap materials, Phys. Rev. B: Condensed Matter 53(23), 15577 (1996).

J. S. McCalmont, M. M. Sigalas, G. Tuttle, K.-M. Ho, C. M. Soukoulis A layer-by-layer metallic photonic band-gap structure Appl. Phys. Lett. 68(19), 2759 (1996).


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