** **

**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:**

**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**

**Links to popular articles and news releases:**

**Photonic
Crystals Trap IR Light**

**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 Si_{13}
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 C_{n}, Si_{n},
Ge_{n} and Sn_{n}
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 Mo_{5}Si_{3} 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 Ti_{5}Si_{3 }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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